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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/IONIS-f3aabb50/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IONIS-f3aabb50/inputs/seq.fa: 1
curr_seq: _CUGCUAGCCUCUGGAUUUGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGCUAGCCUCUGGAUUUGA
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 20 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: 105
n_atoms_counter: 105
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -77.466642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.466642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.466642 (E_RNA)
where:
Base-Base interactions energy: -2.977
where: short stacking energy: -2.977
Base-Backbone interact. energy: -0.000
local terms energy: -74.490065
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -16.797
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -154.885959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.885959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.885959 (E_RNA)
where:
Base-Base interactions energy: -90.549
where: short stacking energy: -54.175
Base-Backbone interact. energy: -0.879
local terms energy: -63.457389
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -6.934
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -120.781561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.781561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.781561 (E_RNA)
where:
Base-Base interactions energy: -52.717
where: short stacking energy: -52.717
Base-Backbone interact. energy: 0.049
local terms energy: -68.113293
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -12.463
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -121.557661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.557661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.557661 (E_RNA)
where:
Base-Base interactions energy: -68.814
where: short stacking energy: -50.958
Base-Backbone interact. energy: -0.029
local terms energy: -52.714939
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -104.436382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.436382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.436382 (E_RNA)
where:
Base-Base interactions energy: -51.208
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.099
local terms energy: -53.129884
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -108.185538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.185538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.185538 (E_RNA)
where:
Base-Base interactions energy: -53.017
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.224
local terms energy: -54.944637
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -7.565
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -102.490956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.490956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.490956 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -41.303
Base-Backbone interact. energy: 0.043
local terms energy: -48.975420
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -6.131
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -100.264919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.264919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.264919 (E_RNA)
where:
Base-Base interactions energy: -50.207
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.192
local terms energy: -49.866576
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -89.857443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857443 (E_RNA)
where:
Base-Base interactions energy: -43.525
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.139
local terms energy: -46.193693
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: 1.597
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -77.670898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670898 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.098
local terms energy: -45.223315
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -4.922
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -85.826185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.826185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.826185 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -35.346
Base-Backbone interact. energy: -0.256
local terms energy: -46.972168
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -178.573468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.573468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.573468 (E_RNA)
where:
Base-Base interactions energy: -107.951
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.082
local terms energy: -70.540406
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -4.767
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -164.118764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.118764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.118764 (E_RNA)
where:
Base-Base interactions energy: -92.770
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.232
local terms energy: -71.117556
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -146.378807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.378807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.378807 (E_RNA)
where:
Base-Base interactions energy: -86.912
where: short stacking energy: -46.478
Base-Backbone interact. energy: 0.534
local terms energy: -60.000060
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -7.068
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: 3
Temperature: 1.050000
Total energy: -103.426909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.426909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.426909 (E_RNA)
where:
Base-Base interactions energy: -50.089
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.101
local terms energy: -53.236607
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -4.792
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -99.445881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.445881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.445881 (E_RNA)
where:
Base-Base interactions energy: -51.098
where: short stacking energy: -31.592
Base-Backbone interact. energy: -0.145
local terms energy: -48.203279
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: 2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -92.560753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.560753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.560753 (E_RNA)
where:
Base-Base interactions energy: -36.361
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.282
local terms energy: -55.918385
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -6.101
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -97.531629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.531629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.531629 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -28.901
Base-Backbone interact. energy: -0.082
local terms energy: -50.712227
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.334349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334349 (E_RNA)
where:
Base-Base interactions energy: -41.919
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.230
local terms energy: -46.184578
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -8.300
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -72.030270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.030270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.030270 (E_RNA)
where:
Base-Base interactions energy: -21.483
where: short stacking energy: -19.441
Base-Backbone interact. energy: -0.155
local terms energy: -50.392139
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.739154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.739154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.739154 (E_RNA)
where:
Base-Base interactions energy: -24.043
where: short stacking energy: -23.480
Base-Backbone interact. energy: 0.374
local terms energy: -51.070611
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -186.415653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.415653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.415653 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.018
local terms energy: -74.910149
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -158.764107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.764107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.764107 (E_RNA)
where:
Base-Base interactions energy: -90.611
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.677
local terms energy: -67.476128
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -140.759031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.759031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.759031 (E_RNA)
where:
Base-Base interactions energy: -87.804
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.169
local terms energy: -52.785620
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -9.468
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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -100.154267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.154267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.154267 (E_RNA)
where:
Base-Base interactions energy: -38.307
where: short stacking energy: -27.761
Base-Backbone interact. energy: -0.011
local terms energy: -61.836073
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.518
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: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -143.836248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.836248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.836248 (E_RNA)
where:
Base-Base interactions energy: -89.031
where: short stacking energy: -39.945
Base-Backbone interact. energy: -0.110
local terms energy: -54.695032
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -7.692
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -91.231827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.231827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.231827 (E_RNA)
where:
Base-Base interactions energy: -38.771
where: short stacking energy: -35.411
Base-Backbone interact. energy: -0.107
local terms energy: -52.353226
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -97.223868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.223868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.223868 (E_RNA)
where:
Base-Base interactions energy: -42.126
where: short stacking energy: -29.974
Base-Backbone interact. energy: -0.039
local terms energy: -55.058796
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -8.551
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -97.754443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.754443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.754443 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.297
local terms energy: -55.910917
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -82.468385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.468385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.468385 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -33.151
Base-Backbone interact. energy: 0.701
local terms energy: -46.029131
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -1.728
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: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -69.066058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.066058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.066058 (E_RNA)
where:
Base-Base interactions energy: -30.623
where: short stacking energy: -15.822
Base-Backbone interact. energy: 0.178
local terms energy: -38.621487
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -193.912966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912966 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -53.059
Base-Backbone interact. energy: -0.056
local terms energy: -63.153471
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -166.888264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.888264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.888264 (E_RNA)
where:
Base-Base interactions energy: -98.153
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.198
local terms energy: -68.537248
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -130.927618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.927618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.927618 (E_RNA)
where:
Base-Base interactions energy: -67.896
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.761
local terms energy: -62.270827
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -149.712349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.712349 (E_RNA)
where:
Base-Base interactions energy: -98.745
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.048
local terms energy: -50.919371
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -5.158
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -107.360474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.360474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.360474 (E_RNA)
where:
Base-Base interactions energy: -51.566
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.458
local terms energy: -55.336258
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -8.715
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -147.356264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.356264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.356264 (E_RNA)
where:
Base-Base interactions energy: -90.325
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.620
local terms energy: -56.410321
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -95.082625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.082625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.082625 (E_RNA)
where:
Base-Base interactions energy: -47.179
where: short stacking energy: -31.897
Base-Backbone interact. energy: -0.560
local terms energy: -47.343765
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -87.734469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.734469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.734469 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.204
local terms energy: -48.367934
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.954
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -90.302404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.302404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.302404 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -24.041
Base-Backbone interact. energy: -0.751
local terms energy: -49.266329
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -73.677501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.677501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.677501 (E_RNA)
where:
Base-Base interactions energy: -24.718
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.148
local terms energy: -48.811712
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -166.554297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.554297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.554297 (E_RNA)
where:
Base-Base interactions energy: -98.941
where: short stacking energy: -64.908
Base-Backbone interact. energy: -0.110
local terms energy: -67.503724
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -18.669
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -190.500416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.500416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.500416 (E_RNA)
where:
Base-Base interactions energy: -121.616
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.651
local terms energy: -68.234201
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -10.806
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -155.961958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.961958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.961958 (E_RNA)
where:
Base-Base interactions energy: -95.785
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.141
local terms energy: -60.035665
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -118.145769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.145769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.145769 (E_RNA)
where:
Base-Base interactions energy: -70.285
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.067
local terms energy: -47.794189
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -158.801630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.801630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.801630 (E_RNA)
where:
Base-Base interactions energy: -97.420
where: short stacking energy: -44.751
Base-Backbone interact. energy: -0.403
local terms energy: -60.979272
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -94.616404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.616404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.616404 (E_RNA)
where:
Base-Base interactions energy: -40.550
where: short stacking energy: -40.089
Base-Backbone interact. energy: -0.268
local terms energy: -53.798565
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -8.522
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -91.413284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413284 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -34.217
Base-Backbone interact. energy: -1.165
local terms energy: -52.109320
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -88.549997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.549997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.549997 (E_RNA)
where:
Base-Base interactions energy: -36.006
where: short stacking energy: -34.720
Base-Backbone interact. energy: -0.196
local terms energy: -52.348240
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -79.094252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.094252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.094252 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -30.442
Base-Backbone interact. energy: 1.940
local terms energy: -50.591562
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -71.878961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.878961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.878961 (E_RNA)
where:
Base-Base interactions energy: -27.518
where: short stacking energy: -18.999
Base-Backbone interact. energy: -0.311
local terms energy: -44.049965
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -165.523633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.523633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.523633 (E_RNA)
where:
Base-Base interactions energy: -98.991
where: short stacking energy: -55.616
Base-Backbone interact. energy: -0.107
local terms energy: -66.426125
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -198.326568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.326568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.326568 (E_RNA)
where:
Base-Base interactions energy: -123.959
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.004
local terms energy: -74.363579
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -159.192923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.192923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.192923 (E_RNA)
where:
Base-Base interactions energy: -93.253
where: short stacking energy: -37.478
Base-Backbone interact. energy: -0.305
local terms energy: -65.635317
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -9.290
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: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -144.427005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.427005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.427005 (E_RNA)
where:
Base-Base interactions energy: -83.168
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.024
local terms energy: -61.235011
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -106.584488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.584488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.584488 (E_RNA)
where:
Base-Base interactions energy: -51.182
where: short stacking energy: -37.152
Base-Backbone interact. energy: -0.167
local terms energy: -55.235504
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -114.330518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.330518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.330518 (E_RNA)
where:
Base-Base interactions energy: -60.148
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.118
local terms energy: -54.064630
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -114.082086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.082086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.082086 (E_RNA)
where:
Base-Base interactions energy: -58.364
where: short stacking energy: -31.697
Base-Backbone interact. energy: -0.513
local terms energy: -55.204327
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -91.016420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.016420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.016420 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -32.144
Base-Backbone interact. energy: -0.061
local terms energy: -53.963936
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.057352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057352 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.032
local terms energy: -47.572594
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -6.798
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -84.920081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.920081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.920081 (E_RNA)
where:
Base-Base interactions energy: -42.443
where: short stacking energy: -17.012
Base-Backbone interact. energy: -0.095
local terms energy: -42.381974
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -0.087
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -205.745052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745052 (E_RNA)
where:
Base-Base interactions energy: -129.616
where: short stacking energy: -64.714
Base-Backbone interact. energy: 0.511
local terms energy: -76.639403
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -168.845557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.845557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.845557 (E_RNA)
where:
Base-Base interactions energy: -106.053
where: short stacking energy: -67.923
Base-Backbone interact. energy: -0.448
local terms energy: -62.344646
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -4.909
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -167.926196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.926196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.926196 (E_RNA)
where:
Base-Base interactions energy: -104.897
where: short stacking energy: -45.673
Base-Backbone interact. energy: -0.088
local terms energy: -62.941186
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.070
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: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -162.959865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.959865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.959865 (E_RNA)
where:
Base-Base interactions energy: -108.551
where: short stacking energy: -53.837
Base-Backbone interact. energy: -0.008
local terms energy: -54.400620
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -9.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -96.367459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367459 (E_RNA)
where:
Base-Base interactions energy: -45.694
where: short stacking energy: -30.329
Base-Backbone interact. energy: 0.786
local terms energy: -51.459003
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -113.977223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.977223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.977223 (E_RNA)
where:
Base-Base interactions energy: -55.566
where: short stacking energy: -39.660
Base-Backbone interact. energy: -0.057
local terms energy: -58.353556
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -92.472228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.472228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.472228 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -39.880
Base-Backbone interact. energy: 0.126
local terms energy: -52.718019
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -103.847863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.847863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.847863 (E_RNA)
where:
Base-Base interactions energy: -53.025
where: short stacking energy: -26.823
Base-Backbone interact. energy: -0.666
local terms energy: -50.156212
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -86.748542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.748542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.748542 (E_RNA)
where:
Base-Base interactions energy: -44.047
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.143
local terms energy: -42.557802
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -2.257
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -68.159041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.159041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.159041 (E_RNA)
where:
Base-Base interactions energy: -21.980
where: short stacking energy: -17.759
Base-Backbone interact. energy: -0.519
local terms energy: -45.660071
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -205.202013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.202013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.202013 (E_RNA)
where:
Base-Base interactions energy: -136.325
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.006
local terms energy: -68.871384
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -170.074244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.074244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.074244 (E_RNA)
where:
Base-Base interactions energy: -99.380
where: short stacking energy: -51.598
Base-Backbone interact. energy: -0.627
local terms energy: -70.067477
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -163.649761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.649761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.649761 (E_RNA)
where:
Base-Base interactions energy: -97.077
where: short stacking energy: -54.959
Base-Backbone interact. energy: 0.381
local terms energy: -66.953355
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -7.323
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: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -155.823460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.823460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.823460 (E_RNA)
where:
Base-Base interactions energy: -98.947
where: short stacking energy: -39.298
Base-Backbone interact. energy: -0.060
local terms energy: -56.816912
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.694
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -108.106911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.106911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.106911 (E_RNA)
where:
Base-Base interactions energy: -52.609
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.757
local terms energy: -54.740918
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -101.805483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.805483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.805483 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -39.270
Base-Backbone interact. energy: -0.259
local terms energy: -57.774066
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -86.567494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.567494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.567494 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -19.815
Base-Backbone interact. energy: -0.098
local terms energy: -60.507220
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -8.473
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -80.063106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.063106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.063106 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -31.486
Base-Backbone interact. energy: 1.788
local terms energy: -46.117736
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -89.687970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.687970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.687970 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -17.607
Base-Backbone interact. energy: 0.261
local terms energy: -44.476174
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -72.356088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.356088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.356088 (E_RNA)
where:
Base-Base interactions energy: -27.231
where: short stacking energy: -23.230
Base-Backbone interact. energy: -0.237
local terms energy: -44.888280
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -8.270
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: 0.579
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.194412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.194412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.194412 (E_RNA)
where:
Base-Base interactions energy: -132.932
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.001
local terms energy: -75.261480
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -161.132305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.132305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132305 (E_RNA)
where:
Base-Base interactions energy: -93.504
where: short stacking energy: -61.058
Base-Backbone interact. energy: 0.034
local terms energy: -67.662597
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -152.443894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.443894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.443894 (E_RNA)
where:
Base-Base interactions energy: -86.589
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.238
local terms energy: -65.616125
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -12.432
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: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -164.134811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.134811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.134811 (E_RNA)
where:
Base-Base interactions energy: -103.374
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.048
local terms energy: -60.712941
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -13.072
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: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -116.899874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.899874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.899874 (E_RNA)
where:
Base-Base interactions energy: -57.214
where: short stacking energy: -28.954
Base-Backbone interact. energy: -0.254
local terms energy: -59.431870
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -83.192168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.192168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.192168 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -25.570
Base-Backbone interact. energy: 0.516
local terms energy: -51.064215
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -95.145606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.145606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.145606 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -24.979
Base-Backbone interact. energy: -0.106
local terms energy: -48.376657
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -70.659162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.659162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.659162 (E_RNA)
where:
Base-Base interactions energy: -24.432
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.208
local terms energy: -46.019223
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -84.195851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.195851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.195851 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -28.638
Base-Backbone interact. energy: 0.012
local terms energy: -47.134676
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -2.263
tors. eta vs tors. theta energy: -5.852
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: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -73.356716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.356716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.356716 (E_RNA)
where:
Base-Base interactions energy: -25.638
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.211
local terms energy: -47.507625
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -6.569
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -209.797045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.797045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.797045 (E_RNA)
where:
Base-Base interactions energy: -137.095
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.407
local terms energy: -72.295151
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -18.524
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: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -171.257334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.257334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.257334 (E_RNA)
where:
Base-Base interactions energy: -109.377
where: short stacking energy: -49.795
Base-Backbone interact. energy: 0.350
local terms energy: -62.230834
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -166.685600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.685600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.685600 (E_RNA)
where:
Base-Base interactions energy: -96.810
where: short stacking energy: -55.329
Base-Backbone interact. energy: -1.829
local terms energy: -68.046165
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -165.937746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.937746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.937746 (E_RNA)
where:
Base-Base interactions energy: -103.423
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.036
local terms energy: -62.478552
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -146.771671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.771671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.771671 (E_RNA)
where:
Base-Base interactions energy: -92.911
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.200
local terms energy: -53.660641
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -90.356556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.356556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.356556 (E_RNA)
where:
Base-Base interactions energy: -47.768
where: short stacking energy: -35.051
Base-Backbone interact. energy: 0.137
local terms energy: -42.725787
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -2.930
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: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -105.870550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.870550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.870550 (E_RNA)
where:
Base-Base interactions energy: -45.145
where: short stacking energy: -29.643
Base-Backbone interact. energy: 0.707
local terms energy: -61.432450
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -91.380254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.380254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.380254 (E_RNA)
where:
Base-Base interactions energy: -51.177
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.248
local terms energy: -39.955839
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -7.020
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: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -79.890717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.890717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.890717 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -30.177
Base-Backbone interact. energy: 1.697
local terms energy: -50.064580
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -78.438901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.438901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.438901 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -19.266
Base-Backbone interact. energy: 1.606
local terms energy: -47.310408
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: 1.704
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: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -201.974989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.974989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.974989 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.046
local terms energy: -71.224804
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -204.299533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.299533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.299533 (E_RNA)
where:
Base-Base interactions energy: -138.406
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.005
local terms energy: -65.889129
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -176.677345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677345 (E_RNA)
where:
Base-Base interactions energy: -110.830
where: short stacking energy: -52.060
Base-Backbone interact. energy: 0.916
local terms energy: -66.763250
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -15.094
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -158.395864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.395864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.395864 (E_RNA)
where:
Base-Base interactions energy: -88.821
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.104
local terms energy: -69.471395
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -155.388549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.388549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.388549 (E_RNA)
where:
Base-Base interactions energy: -92.348
where: short stacking energy: -43.535
Base-Backbone interact. energy: -0.055
local terms energy: -62.986332
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -11.684
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: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -88.823414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.823414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.823414 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -30.637
Base-Backbone interact. energy: -0.363
local terms energy: -54.361361
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -93.129198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.129198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.129198 (E_RNA)
where:
Base-Base interactions energy: -34.225
where: short stacking energy: -34.225
Base-Backbone interact. energy: -0.205
local terms energy: -58.699168
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -89.549593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.549593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.549593 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -29.632
Base-Backbone interact. energy: -1.695
local terms energy: -52.299580
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -72.865488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.865488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.865488 (E_RNA)
where:
Base-Base interactions energy: -26.415
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.009
local terms energy: -46.441615
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -4.460
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: 12
Temperature: 1.350000
Total energy: -71.955707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.955707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.955707 (E_RNA)
where:
Base-Base interactions energy: -23.937
where: short stacking energy: -23.937
Base-Backbone interact. energy: -0.104
local terms energy: -47.914996
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -186.342397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.342397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.342397 (E_RNA)
where:
Base-Base interactions energy: -119.814
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.294
local terms energy: -66.234429
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -8.257
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: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -175.720681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.720681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.720681 (E_RNA)
where:
Base-Base interactions energy: -105.954
where: short stacking energy: -51.655
Base-Backbone interact. energy: -0.096
local terms energy: -69.670898
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -13.466
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -187.319468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.319468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.319468 (E_RNA)
where:
Base-Base interactions energy: -117.466
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.009
local terms energy: -69.845033
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -15.988
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: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -160.954225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.954225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.954225 (E_RNA)
where:
Base-Base interactions energy: -108.024
where: short stacking energy: -44.009
Base-Backbone interact. energy: -0.187
local terms energy: -52.743566
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -146.168442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.168442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.168442 (E_RNA)
where:
Base-Base interactions energy: -82.974
where: short stacking energy: -45.927
Base-Backbone interact. energy: -0.541
local terms energy: -62.654310
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -15.762
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: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -102.382731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.382731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.382731 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -26.226
Base-Backbone interact. energy: -0.215
local terms energy: -53.740603
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -88.640875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.640875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.640875 (E_RNA)
where:
Base-Base interactions energy: -35.045
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.708
local terms energy: -52.887610
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -84.988805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.988805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.988805 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.372
local terms energy: -51.724386
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -80.819326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.819326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.819326 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -28.855
Base-Backbone interact. energy: -0.020
local terms energy: -51.943939
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -9.070
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: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -110.574128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.574128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.574128 (E_RNA)
where:
Base-Base interactions energy: -63.295
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.786
local terms energy: -46.492688
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -183.925563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.925563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.925563 (E_RNA)
where:
Base-Base interactions energy: -117.854
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.007
local terms energy: -66.064296
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -14.904
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: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -178.826797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.826797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.826797 (E_RNA)
where:
Base-Base interactions energy: -113.947
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.000
local terms energy: -64.879447
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.491
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: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -193.923394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.923394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.923394 (E_RNA)
where:
Base-Base interactions energy: -124.184
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.101
local terms energy: -69.638344
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -173.441391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.441391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.441391 (E_RNA)
where:
Base-Base interactions energy: -102.973
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.005
local terms energy: -70.463135
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -151.805665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.805665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.805665 (E_RNA)
where:
Base-Base interactions energy: -89.685
where: short stacking energy: -55.098
Base-Backbone interact. energy: 0.580
local terms energy: -62.700496
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -103.170889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.170889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.170889 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -36.404
Base-Backbone interact. energy: 0.504
local terms energy: -58.753429
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -84.870323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.870323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.870323 (E_RNA)
where:
Base-Base interactions energy: -30.729
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.126
local terms energy: -54.015138
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -71.390529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.390529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.390529 (E_RNA)
where:
Base-Base interactions energy: -25.503
where: short stacking energy: -20.276
Base-Backbone interact. energy: -0.238
local terms energy: -45.649133
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -9.698
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: 1.954
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: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -92.236237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236237 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -17.796
Base-Backbone interact. energy: -0.163
local terms energy: -47.440717
where:
bonds (distance) C4'-P energy: -8.106
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -7.972
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: 10, replica: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -73.746730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.746730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.746730 (E_RNA)
where:
Base-Base interactions energy: -29.126
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.167
local terms energy: -44.454145
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -193.409678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.409678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.409678 (E_RNA)
where:
Base-Base interactions energy: -123.896
where: short stacking energy: -58.865
Base-Backbone interact. energy: -0.209
local terms energy: -69.304411
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -16.749
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: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -203.895370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.895370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.895370 (E_RNA)
where:
Base-Base interactions energy: -130.752
where: short stacking energy: -51.314
Base-Backbone interact. energy: -0.001
local terms energy: -73.143017
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -177.644787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.644787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.644787 (E_RNA)
where:
Base-Base interactions energy: -110.073
where: short stacking energy: -53.821
Base-Backbone interact. energy: -0.334
local terms energy: -67.237886
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -147.163312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.163312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.163312 (E_RNA)
where:
Base-Base interactions energy: -82.418
where: short stacking energy: -44.095
Base-Backbone interact. energy: -0.059
local terms energy: -64.686516
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -145.190710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.190710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.190710 (E_RNA)
where:
Base-Base interactions energy: -92.143
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.062
local terms energy: -52.985720
where:
bonds (distance) C4'-P energy: -7.099
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -6.722
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: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -91.479972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.479972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.479972 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -33.856
Base-Backbone interact. energy: -0.192
local terms energy: -45.423354
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -97.021984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021984 (E_RNA)
where:
Base-Base interactions energy: -48.064
where: short stacking energy: -37.511
Base-Backbone interact. energy: -0.608
local terms energy: -48.349440
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -126.908273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.908273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.908273 (E_RNA)
where:
Base-Base interactions energy: -77.629
where: short stacking energy: -48.459
Base-Backbone interact. energy: -0.073
local terms energy: -49.205701
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -9.990
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: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -75.964293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.964293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.964293 (E_RNA)
where:
Base-Base interactions energy: -28.865
where: short stacking energy: -13.895
Base-Backbone interact. energy: -0.281
local terms energy: -46.818658
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -67.698495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.698495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.698495 (E_RNA)
where:
Base-Base interactions energy: -20.543
where: short stacking energy: -20.543
Base-Backbone interact. energy: -0.103
local terms energy: -47.052103
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: 2.359
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -202.000291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.000291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.000291 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -65.332
Base-Backbone interact. energy: -0.034
local terms energy: -68.169511
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -18.683
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: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -192.655033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.655033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.655033 (E_RNA)
where:
Base-Base interactions energy: -122.718
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.674
local terms energy: -69.263846
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -14.437
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: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -183.540347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.540347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.540347 (E_RNA)
where:
Base-Base interactions energy: -118.949
where: short stacking energy: -50.436
Base-Backbone interact. energy: -0.062
local terms energy: -64.529412
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -151.014315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.014315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.014315 (E_RNA)
where:
Base-Base interactions energy: -85.590
where: short stacking energy: -47.180
Base-Backbone interact. energy: -0.026
local terms energy: -65.398035
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -149.066870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.066870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.066870 (E_RNA)
where:
Base-Base interactions energy: -86.562
where: short stacking energy: -33.264
Base-Backbone interact. energy: 0.134
local terms energy: -62.638235
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -7.845
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: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -93.792769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.792769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.792769 (E_RNA)
where:
Base-Base interactions energy: -38.043
where: short stacking energy: -26.933
Base-Backbone interact. energy: -0.199
local terms energy: -55.550830
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -2.899
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: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -103.479926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.479926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.479926 (E_RNA)
where:
Base-Base interactions energy: -48.356
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.038
local terms energy: -55.086070
where:
bonds (distance) C4'-P energy: -5.362
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -82.250540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.250540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.250540 (E_RNA)
where:
Base-Base interactions energy: -23.659
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.050
local terms energy: -58.541559
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.436
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: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -84.281762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.281762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.281762 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -32.860
Base-Backbone interact. energy: -0.194
local terms energy: -51.228113
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -6.487
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: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -87.082911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082911 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.075
local terms energy: -55.144260
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -2.460
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: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -206.556273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.556273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.556273 (E_RNA)
where:
Base-Base interactions energy: -142.326
where: short stacking energy: -67.875
Base-Backbone interact. energy: 0.026
local terms energy: -64.256290
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -174.948137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.948137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.948137 (E_RNA)
where:
Base-Base interactions energy: -106.632
where: short stacking energy: -41.122
Base-Backbone interact. energy: -0.001
local terms energy: -68.314668
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -8.236
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: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -172.071314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.071314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.071314 (E_RNA)
where:
Base-Base interactions energy: -107.017
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.175
local terms energy: -64.878565
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -175.481766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.481766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.481766 (E_RNA)
where:
Base-Base interactions energy: -110.556
where: short stacking energy: -43.608
Base-Backbone interact. energy: -0.188
local terms energy: -64.737602
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.269
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: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -154.687845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.687845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.687845 (E_RNA)
where:
Base-Base interactions energy: -90.231
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.041
local terms energy: -64.415911
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -17.041
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: 17
Temperature: 1.150000
Total energy: -93.217453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.217453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.217453 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -29.058
Base-Backbone interact. energy: -0.069
local terms energy: -55.980604
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -96.011070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.011070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.011070 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.007
local terms energy: -62.233960
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -6.841
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: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -77.563773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.563773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.563773 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.041
local terms energy: -49.537027
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -76.761237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.761237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.761237 (E_RNA)
where:
Base-Base interactions energy: -35.014
where: short stacking energy: -27.367
Base-Backbone interact. energy: -0.254
local terms energy: -41.493882
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -71.531689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.531689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.531689 (E_RNA)
where:
Base-Base interactions energy: -26.342
where: short stacking energy: -26.178
Base-Backbone interact. energy: -0.047
local terms energy: -45.142194
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -0.413
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -210.451115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.451115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.451115 (E_RNA)
where:
Base-Base interactions energy: -133.774
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.002
local terms energy: -76.674436
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -20.615
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: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -177.904317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.904317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.904317 (E_RNA)
where:
Base-Base interactions energy: -117.250
where: short stacking energy: -53.054
Base-Backbone interact. energy: -0.048
local terms energy: -60.605695
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -2.765
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -184.427602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.427602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.427602 (E_RNA)
where:
Base-Base interactions energy: -112.909
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.100
local terms energy: -71.418523
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -17.842
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: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -154.047247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.047247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.047247 (E_RNA)
where:
Base-Base interactions energy: -95.473
where: short stacking energy: -39.885
Base-Backbone interact. energy: -0.099
local terms energy: -58.474354
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -5.085
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: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -156.469823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.469823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.469823 (E_RNA)
where:
Base-Base interactions energy: -90.194
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.069
local terms energy: -66.206973
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -93.859151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.859151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.859151 (E_RNA)
where:
Base-Base interactions energy: -34.534
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.192
local terms energy: -59.132407
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -5.557
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: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -84.325573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325573 (E_RNA)
where:
Base-Base interactions energy: -31.856
where: short stacking energy: -25.415
Base-Backbone interact. energy: -0.268
local terms energy: -52.200831
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -3.305
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: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -84.980906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.980906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.980906 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -28.520
Base-Backbone interact. energy: -0.103
local terms energy: -48.198327
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -8.532
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: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -77.588728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.588728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.588728 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -28.012
Base-Backbone interact. energy: -0.435
local terms energy: -47.567093
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -6.615
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -3.294
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: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -69.249032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.249032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.249032 (E_RNA)
where:
Base-Base interactions energy: -23.644
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.124
local terms energy: -45.481591
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -3.982
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: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -213.294378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.294378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.294378 (E_RNA)
where:
Base-Base interactions energy: -135.468
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.725
local terms energy: -77.101232
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -182.398494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.398494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.398494 (E_RNA)
where:
Base-Base interactions energy: -117.963
where: short stacking energy: -56.755
Base-Backbone interact. energy: -0.017
local terms energy: -64.418625
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -172.196595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.196595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.196595 (E_RNA)
where:
Base-Base interactions energy: -102.377
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.277
local terms energy: -69.542368
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -141.829176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.829176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.829176 (E_RNA)
where:
Base-Base interactions energy: -77.538
where: short stacking energy: -41.810
Base-Backbone interact. energy: -0.188
local terms energy: -64.102542
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -10.126
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: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -145.874626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.874626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.874626 (E_RNA)
where:
Base-Base interactions energy: -86.451
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.002
local terms energy: -59.421313
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -4.815
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: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -100.967754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.967754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.967754 (E_RNA)
where:
Base-Base interactions energy: -52.929
where: short stacking energy: -25.323
Base-Backbone interact. energy: -0.223
local terms energy: -47.816420
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -4.166
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: 19
Temperature: 1.200000
Total energy: -94.668600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.668600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.668600 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -22.776
Base-Backbone interact. energy: 1.654
local terms energy: -54.712133
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -84.368916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.368916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.368916 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -34.271
Base-Backbone interact. energy: 0.134
local terms energy: -50.232406
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -3.664
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -75.852492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.852492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.852492 (E_RNA)
where:
Base-Base interactions energy: -36.012
where: short stacking energy: -36.012
Base-Backbone interact. energy: 0.508
local terms energy: -40.348833
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -4.477
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: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -74.212305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.212305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.212305 (E_RNA)
where:
Base-Base interactions energy: -22.458
where: short stacking energy: -8.197
Base-Backbone interact. energy: -0.460
local terms energy: -51.294198
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -2.520
tors. eta vs tors. theta energy: -3.668
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: 20
Temperature: 0.900000
Total energy: -215.495089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.495089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.495089 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.106
local terms energy: -76.090892
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.633
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: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -197.351475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.351475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.351475 (E_RNA)
where:
Base-Base interactions energy: -126.336
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.236
local terms energy: -70.779966
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -138.270498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.270498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.270498 (E_RNA)
where:
Base-Base interactions energy: -75.188
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.466
local terms energy: -62.617278
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -176.407150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.407150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.407150 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -51.103
Base-Backbone interact. energy: 0.861
local terms energy: -66.895640
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -18.084
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: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -147.719231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.719231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.719231 (E_RNA)
where:
Base-Base interactions energy: -91.342
where: short stacking energy: -44.632
Base-Backbone interact. energy: 0.925
local terms energy: -57.301809
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -102.269343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.269343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.269343 (E_RNA)
where:
Base-Base interactions energy: -44.132
where: short stacking energy: -44.132
Base-Backbone interact. energy: -0.140
local terms energy: -57.997151
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -102.005208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.005208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.005208 (E_RNA)
where:
Base-Base interactions energy: -50.492
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.013
local terms energy: -51.500730
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.816857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816857 (E_RNA)
where:
Base-Base interactions energy: -41.457
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.171
local terms energy: -47.188705
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -0.583
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: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -70.465489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.465489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.465489 (E_RNA)
where:
Base-Base interactions energy: -18.138
where: short stacking energy: -17.414
Base-Backbone interact. energy: -0.092
local terms energy: -52.236069
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -77.116773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.116773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.116773 (E_RNA)
where:
Base-Base interactions energy: -29.548
where: short stacking energy: -29.548
Base-Backbone interact. energy: -1.343
local terms energy: -46.225123
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -9.680
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: 21
Temperature: 0.900000
Total energy: -213.671929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.671929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.671929 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -57.791
Base-Backbone interact. energy: -0.001
local terms energy: -74.194559
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -199.296976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.296976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.296976 (E_RNA)
where:
Base-Base interactions energy: -124.159
where: short stacking energy: -53.753
Base-Backbone interact. energy: -0.295
local terms energy: -74.842922
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -19.101
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: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -125.564324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.564324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.564324 (E_RNA)
where:
Base-Base interactions energy: -62.443
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.100
local terms energy: -63.020831
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -153.127886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.127886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.127886 (E_RNA)
where:
Base-Base interactions energy: -92.541
where: short stacking energy: -46.631
Base-Backbone interact. energy: -0.339
local terms energy: -60.247999
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -9.672
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: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -166.657524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.657524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.657524 (E_RNA)
where:
Base-Base interactions energy: -99.809
where: short stacking energy: -42.840
Base-Backbone interact. energy: -0.046
local terms energy: -66.802869
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -88.614203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.614203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.614203 (E_RNA)
where:
Base-Base interactions energy: -37.958
where: short stacking energy: -37.958
Base-Backbone interact. energy: -0.118
local terms energy: -50.538470
where:
bonds (distance) C4'-P energy: -7.646
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -10.608
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: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -87.336036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.336036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.336036 (E_RNA)
where:
Base-Base interactions energy: -34.089
where: short stacking energy: -21.418
Base-Backbone interact. energy: -0.092
local terms energy: -53.155361
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -81.352593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.352593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.352593 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -28.423
Base-Backbone interact. energy: 1.228
local terms energy: -49.391373
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -79.082719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.082719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.082719 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -25.778
Base-Backbone interact. energy: 0.946
local terms energy: -50.116677
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -73.265649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.265649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.265649 (E_RNA)
where:
Base-Base interactions energy: -28.258
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.113
local terms energy: -44.894141
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -3.091
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: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -215.875264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.875264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.875264 (E_RNA)
where:
Base-Base interactions energy: -148.207
where: short stacking energy: -63.465
Base-Backbone interact. energy: -0.004
local terms energy: -67.663685
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -5.086
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -199.883463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.883463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.883463 (E_RNA)
where:
Base-Base interactions energy: -129.849
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.001
local terms energy: -70.034032
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -165.394230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.394230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.394230 (E_RNA)
where:
Base-Base interactions energy: -100.863
where: short stacking energy: -42.507
Base-Backbone interact. energy: -0.103
local terms energy: -64.427782
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -128.780573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.780573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.780573 (E_RNA)
where:
Base-Base interactions energy: -72.219
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.893
local terms energy: -55.668760
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -154.892984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.892984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.892984 (E_RNA)
where:
Base-Base interactions energy: -99.502
where: short stacking energy: -42.778
Base-Backbone interact. energy: 0.574
local terms energy: -55.965039
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -101.238777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.238777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.238777 (E_RNA)
where:
Base-Base interactions energy: -48.144
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.133
local terms energy: -52.961793
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -7.366
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: 22
Temperature: 1.200000
Total energy: -83.025126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025126 (E_RNA)
where:
Base-Base interactions energy: -41.808
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.182
local terms energy: -41.035497
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -0.504
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: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -88.675637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.675637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.675637 (E_RNA)
where:
Base-Base interactions energy: -39.627
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.069
local terms energy: -48.979341
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -81.637849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.637849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.637849 (E_RNA)
where:
Base-Base interactions energy: -35.188
where: short stacking energy: -33.966
Base-Backbone interact. energy: 0.465
local terms energy: -46.914778
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -2.393
tors. eta vs tors. theta energy: -7.306
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: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -78.177855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177855 (E_RNA)
where:
Base-Base interactions energy: -27.966
where: short stacking energy: -13.459
Base-Backbone interact. energy: 0.159
local terms energy: -50.370747
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: 2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -207.369781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.369781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.369781 (E_RNA)
where:
Base-Base interactions energy: -136.487
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.100
local terms energy: -70.783019
where:
bonds (distance) C4'-P energy: -8.768
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -196.428641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.428641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.428641 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.075
local terms energy: -69.303135
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -9.536
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: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -167.155481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.155481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.155481 (E_RNA)
where:
Base-Base interactions energy: -101.268
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.656
local terms energy: -65.231564
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -164.177085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.177085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.177085 (E_RNA)
where:
Base-Base interactions energy: -104.314
where: short stacking energy: -51.930
Base-Backbone interact. energy: -0.029
local terms energy: -59.834872
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -114.947662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.947662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.947662 (E_RNA)
where:
Base-Base interactions energy: -58.930
where: short stacking energy: -18.928
Base-Backbone interact. energy: -0.630
local terms energy: -55.387318
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -103.008667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.008667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.008667 (E_RNA)
where:
Base-Base interactions energy: -39.035
where: short stacking energy: -31.028
Base-Backbone interact. energy: -0.198
local terms energy: -63.775631
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -9.607
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: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -88.018193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.018193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.018193 (E_RNA)
where:
Base-Base interactions energy: -30.845
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.029
local terms energy: -57.144677
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -94.397586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.397586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.397586 (E_RNA)
where:
Base-Base interactions energy: -40.317
where: short stacking energy: -36.846
Base-Backbone interact. energy: -0.028
local terms energy: -54.051916
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -87.052815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.052815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.052815 (E_RNA)
where:
Base-Base interactions energy: -37.632
where: short stacking energy: -37.632
Base-Backbone interact. energy: -0.017
local terms energy: -49.403846
where:
bonds (distance) C4'-P energy: -7.012
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -73.749704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.749704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.749704 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.829
local terms energy: -42.544996
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: -6.393
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: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -211.865120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.865120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.865120 (E_RNA)
where:
Base-Base interactions energy: -144.444
where: short stacking energy: -58.023
Base-Backbone interact. energy: -0.053
local terms energy: -67.367989
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -207.491332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.491332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.491332 (E_RNA)
where:
Base-Base interactions energy: -133.357
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.141
local terms energy: -73.993553
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -165.733889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.733889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.733889 (E_RNA)
where:
Base-Base interactions energy: -102.619
where: short stacking energy: -44.034
Base-Backbone interact. energy: -0.267
local terms energy: -62.847926
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -152.153154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.153154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.153154 (E_RNA)
where:
Base-Base interactions energy: -91.089
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.044
local terms energy: -61.020646
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -125.565231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.565231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.565231 (E_RNA)
where:
Base-Base interactions energy: -74.302
where: short stacking energy: -42.732
Base-Backbone interact. energy: -0.178
local terms energy: -51.085427
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -7.704
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -98.615618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.615618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.615618 (E_RNA)
where:
Base-Base interactions energy: -38.052
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.085
local terms energy: -60.478746
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -85.765770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765770 (E_RNA)
where:
Base-Base interactions energy: -31.398
where: short stacking energy: -21.195
Base-Backbone interact. energy: -1.322
local terms energy: -53.045157
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 2.114
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: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -83.967657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.967657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.967657 (E_RNA)
where:
Base-Base interactions energy: -27.918
where: short stacking energy: -23.567
Base-Backbone interact. energy: 2.687
local terms energy: -58.736309
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -76.058010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.058010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.058010 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -25.538
Base-Backbone interact. energy: -0.090
local terms energy: -47.642018
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -70.885761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.885761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.885761 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -24.084
Base-Backbone interact. energy: 1.325
local terms energy: -46.364406
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -5.081
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -8.398
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: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -205.506735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.506735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.506735 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.080
local terms energy: -67.697895
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -5.035
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: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -177.346473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.346473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.346473 (E_RNA)
where:
Base-Base interactions energy: -105.345
where: short stacking energy: -49.876
Base-Backbone interact. energy: -0.295
local terms energy: -71.706021
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -11.512
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: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -157.064024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.064024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.064024 (E_RNA)
where:
Base-Base interactions energy: -101.286
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.386
local terms energy: -55.392063
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -150.900803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.900803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.900803 (E_RNA)
where:
Base-Base interactions energy: -87.289
where: short stacking energy: -43.347
Base-Backbone interact. energy: -0.122
local terms energy: -63.489538
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -110.813861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.813861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.813861 (E_RNA)
where:
Base-Base interactions energy: -43.966
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.010
local terms energy: -66.837193
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -11.597
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -105.252682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.252682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.252682 (E_RNA)
where:
Base-Base interactions energy: -49.820
where: short stacking energy: -39.029
Base-Backbone interact. energy: 1.093
local terms energy: -56.526131
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -12.242
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: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -92.653271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653271 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -37.335
Base-Backbone interact. energy: 0.039
local terms energy: -55.356869
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -5.867
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: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -91.393970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.393970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.393970 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -27.912
Base-Backbone interact. energy: 1.118
local terms energy: -52.029999
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -84.779426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.779426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.779426 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -28.346
Base-Backbone interact. energy: -0.201
local terms energy: -56.232473
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -5.910
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: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -70.413366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.413366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.413366 (E_RNA)
where:
Base-Base interactions energy: -20.481
where: short stacking energy: -20.481
Base-Backbone interact. energy: -0.849
local terms energy: -49.083980
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.833
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: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -200.322706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.322706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.322706 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.078
local terms energy: -72.269959
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -173.663298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.663298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.663298 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -54.963
Base-Backbone interact. energy: -0.003
local terms energy: -65.526932
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -13.465
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: 26
Temperature: 1.000000
Total energy: -158.504371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.504371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.504371 (E_RNA)
where:
Base-Base interactions energy: -95.560
where: short stacking energy: -40.305
Base-Backbone interact. energy: -0.017
local terms energy: -62.927100
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -149.755449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.755449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.755449 (E_RNA)
where:
Base-Base interactions energy: -91.930
where: short stacking energy: -39.836
Base-Backbone interact. energy: -0.507
local terms energy: -57.318463
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -118.559403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.559403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.559403 (E_RNA)
where:
Base-Base interactions energy: -65.196
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.153
local terms energy: -53.210623
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -89.137892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137892 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.110
local terms energy: -57.867276
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -11.335
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: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -90.474261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.474261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.474261 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -25.471
Base-Backbone interact. energy: -0.206
local terms energy: -51.358866
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: 1.353
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: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -82.655152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.655152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.655152 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.369
local terms energy: -35.505113
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -69.009772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.009772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.009772 (E_RNA)
where:
Base-Base interactions energy: -23.731
where: short stacking energy: -11.272
Base-Backbone interact. energy: 0.500
local terms energy: -45.778713
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -77.829722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.829722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.829722 (E_RNA)
where:
Base-Base interactions energy: -22.890
where: short stacking energy: -22.890
Base-Backbone interact. energy: -0.128
local terms energy: -54.811438
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -209.726247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.726247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.726247 (E_RNA)
where:
Base-Base interactions energy: -138.473
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.005
local terms energy: -71.248248
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -163.289966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.289966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.289966 (E_RNA)
where:
Base-Base interactions energy: -103.963
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.020
local terms energy: -59.307635
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -7.474
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: 27
Temperature: 1.000000
Total energy: -170.281036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.281036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.281036 (E_RNA)
where:
Base-Base interactions energy: -109.562
where: short stacking energy: -52.582
Base-Backbone interact. energy: -0.084
local terms energy: -60.635056
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -5.882
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: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -155.066571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.066571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.066571 (E_RNA)
where:
Base-Base interactions energy: -84.957
where: short stacking energy: -42.623
Base-Backbone interact. energy: -0.092
local terms energy: -70.017378
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -103.038232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.038232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.038232 (E_RNA)
where:
Base-Base interactions energy: -44.563
where: short stacking energy: -44.563
Base-Backbone interact. energy: -0.164
local terms energy: -58.310830
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -95.327200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.327200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327200 (E_RNA)
where:
Base-Base interactions energy: -42.488
where: short stacking energy: -40.273
Base-Backbone interact. energy: -0.205
local terms energy: -52.634160
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -7.435
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: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -98.065231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.065231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.065231 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.171
local terms energy: -49.726494
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -5.725
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: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.106669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.106669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.106669 (E_RNA)
where:
Base-Base interactions energy: -41.240
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.071
local terms energy: -50.795325
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -7.946
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: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -84.628508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.628508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.628508 (E_RNA)
where:
Base-Base interactions energy: -44.237
where: short stacking energy: -31.858
Base-Backbone interact. energy: -0.287
local terms energy: -40.104647
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -1.010
tors. eta vs tors. theta energy: -5.426
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: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -77.825201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825201 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -19.952
Base-Backbone interact. energy: -0.501
local terms energy: -35.956723
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: 3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -182.519683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.519683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.519683 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -52.549
Base-Backbone interact. energy: -0.024
local terms energy: -66.766324
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -13.158
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: 28
Temperature: 0.950000
Total energy: -207.944031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.944031 (E_RNA)
where:
Base-Base interactions energy: -135.780
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.001
local terms energy: -72.163433
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.625
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: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -167.361004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.361004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.361004 (E_RNA)
where:
Base-Base interactions energy: -100.753
where: short stacking energy: -44.129
Base-Backbone interact. energy: -0.198
local terms energy: -66.409277
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -153.992787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.992787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.992787 (E_RNA)
where:
Base-Base interactions energy: -98.954
where: short stacking energy: -52.307
Base-Backbone interact. energy: -0.223
local terms energy: -54.815131
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -90.411255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.411255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.411255 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.080
local terms energy: -57.553782
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -8.645
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: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -83.250812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250812 (E_RNA)
where:
Base-Base interactions energy: -33.030
where: short stacking energy: -17.720
Base-Backbone interact. energy: -0.171
local terms energy: -50.049516
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -83.153361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.153361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.153361 (E_RNA)
where:
Base-Base interactions energy: -27.563
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.306
local terms energy: -55.284151
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -3.357
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: 3
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -87.132207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.132207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.132207 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -32.515
Base-Backbone interact. energy: -0.247
local terms energy: -52.494278
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -98.089987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.089987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.089987 (E_RNA)
where:
Base-Base interactions energy: -45.207
where: short stacking energy: -29.200
Base-Backbone interact. energy: -0.055
local terms energy: -52.827648
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -77.737518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.737518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.737518 (E_RNA)
where:
Base-Base interactions energy: -30.290
where: short stacking energy: -22.140
Base-Backbone interact. energy: -0.869
local terms energy: -46.578470
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -207.656801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.656801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.656801 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.026
local terms energy: -74.530614
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -15.020
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: 29
Temperature: 0.950000
Total energy: -202.119510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.119510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.119510 (E_RNA)
where:
Base-Base interactions energy: -130.978
where: short stacking energy: -58.855
Base-Backbone interact. energy: -0.016
local terms energy: -71.124712
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -19.275
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: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -162.912088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.912088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.912088 (E_RNA)
where:
Base-Base interactions energy: -99.848
where: short stacking energy: -51.244
Base-Backbone interact. energy: -0.205
local terms energy: -62.859015
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -159.395522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.395522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.395522 (E_RNA)
where:
Base-Base interactions energy: -99.870
where: short stacking energy: -44.145
Base-Backbone interact. energy: -0.311
local terms energy: -59.214088
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -11.802
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: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -104.954621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.954621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.954621 (E_RNA)
where:
Base-Base interactions energy: -45.824
where: short stacking energy: -45.824
Base-Backbone interact. energy: -0.000
local terms energy: -59.130317
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.167
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: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -79.400979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.400979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.400979 (E_RNA)
where:
Base-Base interactions energy: -33.596
where: short stacking energy: -19.551
Base-Backbone interact. energy: -0.068
local terms energy: -45.737266
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -84.138375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138375 (E_RNA)
where:
Base-Base interactions energy: -32.441
where: short stacking energy: -31.534
Base-Backbone interact. energy: -0.064
local terms energy: -51.632720
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -7.603
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -89.564867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.564867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.564867 (E_RNA)
where:
Base-Base interactions energy: -36.739
where: short stacking energy: -16.646
Base-Backbone interact. energy: 0.460
local terms energy: -53.285851
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -5.164
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: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -79.574470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.574470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.574470 (E_RNA)
where:
Base-Base interactions energy: -26.639
where: short stacking energy: -23.196
Base-Backbone interact. energy: -0.270
local terms energy: -52.665915
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -93.154185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.154185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.154185 (E_RNA)
where:
Base-Base interactions energy: -44.819
where: short stacking energy: -23.658
Base-Backbone interact. energy: 0.164
local terms energy: -48.499625
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -7.607
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: 30
Temperature: 0.900000
Total energy: -203.875780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.875780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.875780 (E_RNA)
where:
Base-Base interactions energy: -134.279
where: short stacking energy: -61.464
Base-Backbone interact. energy: -0.064
local terms energy: -69.532155
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -206.659855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.659855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.659855 (E_RNA)
where:
Base-Base interactions energy: -137.315
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.004
local terms energy: -69.341231
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -155.877752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.877752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.877752 (E_RNA)
where:
Base-Base interactions energy: -94.069
where: short stacking energy: -38.089
Base-Backbone interact. energy: -1.150
local terms energy: -60.658678
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.539
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: 30
Temperature: 1.050000
Total energy: -163.540117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.540117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.540117 (E_RNA)
where:
Base-Base interactions energy: -99.287
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.005
local terms energy: -64.248098
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -95.843553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.843553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.843553 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -35.623
Base-Backbone interact. energy: 0.222
local terms energy: -57.930393
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -8.666
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: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -85.365132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365132 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -30.269
Base-Backbone interact. energy: -1.052
local terms energy: -47.794803
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -7.091
flat angles P-C4'-P energy: -6.968
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: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -90.156128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.156128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.156128 (E_RNA)
where:
Base-Base interactions energy: -40.911
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.501
local terms energy: -48.743759
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -83.391392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.391392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.391392 (E_RNA)
where:
Base-Base interactions energy: -44.599
where: short stacking energy: -19.708
Base-Backbone interact. energy: -1.272
local terms energy: -37.520323
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.819
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: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -71.465022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.465022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.465022 (E_RNA)
where:
Base-Base interactions energy: -24.930
where: short stacking energy: -19.039
Base-Backbone interact. energy: -0.009
local terms energy: -46.525949
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -74.625849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.625849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.625849 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -25.734
Base-Backbone interact. energy: -0.569
local terms energy: -43.947635
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -6.821
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.000
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -201.022747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.022747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.022747 (E_RNA)
where:
Base-Base interactions energy: -130.438
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.001
local terms energy: -70.583542
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -209.193201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.193201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.193201 (E_RNA)
where:
Base-Base interactions energy: -137.715
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.044
local terms energy: -71.433995
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -169.569209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.569209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.569209 (E_RNA)
where:
Base-Base interactions energy: -103.737
where: short stacking energy: -47.162
Base-Backbone interact. energy: -0.102
local terms energy: -65.730416
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -9.466
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: 31
Temperature: 1.050000
Total energy: -156.521548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.521548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.521548 (E_RNA)
where:
Base-Base interactions energy: -97.634
where: short stacking energy: -41.904
Base-Backbone interact. energy: -0.610
local terms energy: -58.278132
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -97.516402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516402 (E_RNA)
where:
Base-Base interactions energy: -48.949
where: short stacking energy: -36.444
Base-Backbone interact. energy: 1.141
local terms energy: -49.708019
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: 1.299
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: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -93.711308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.711308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.711308 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.091
local terms energy: -52.707097
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -80.700328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.700328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.700328 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -24.725
Base-Backbone interact. energy: -0.779
local terms energy: -43.862896
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -80.435822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.435822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.435822 (E_RNA)
where:
Base-Base interactions energy: -29.925
where: short stacking energy: -24.638
Base-Backbone interact. energy: 0.500
local terms energy: -51.011008
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -3.371
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: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -67.216839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.216839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.216839 (E_RNA)
where:
Base-Base interactions energy: -20.682
where: short stacking energy: -20.284
Base-Backbone interact. energy: -1.124
local terms energy: -45.410344
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.997142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.997142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.997142 (E_RNA)
where:
Base-Base interactions energy: -31.003
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.035
local terms energy: -51.958332
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -207.271343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.271343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.271343 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.585
local terms energy: -73.134138
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -201.135648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.135648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.135648 (E_RNA)
where:
Base-Base interactions energy: -127.790
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.007
local terms energy: -73.338613
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -19.260
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: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -175.724951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.724951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.724951 (E_RNA)
where:
Base-Base interactions energy: -111.406
where: short stacking energy: -47.145
Base-Backbone interact. energy: -0.080
local terms energy: -64.238666
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -10.990
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: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -155.376096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.376096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.376096 (E_RNA)
where:
Base-Base interactions energy: -103.807
where: short stacking energy: -48.872
Base-Backbone interact. energy: -0.102
local terms energy: -51.467147
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -10.258
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: 6
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -122.613592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.613592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.613592 (E_RNA)
where:
Base-Base interactions energy: -63.265
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.162
local terms energy: -59.186453
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -97.271847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.271847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.271847 (E_RNA)
where:
Base-Base interactions energy: -43.891
where: short stacking energy: -26.100
Base-Backbone interact. energy: -0.095
local terms energy: -53.286280
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -85.933925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.933925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.933925 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -26.596
Base-Backbone interact. energy: 0.276
local terms energy: -54.005418
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -6.309
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -78.715447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.715447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.715447 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -31.826
Base-Backbone interact. energy: -0.174
local terms energy: -42.572021
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -76.278753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.278753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.278753 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.218
local terms energy: -49.817577
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -77.382577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.382577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.382577 (E_RNA)
where:
Base-Base interactions energy: -24.040
where: short stacking energy: -23.500
Base-Backbone interact. energy: -0.249
local terms energy: -53.093489
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.017
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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -212.032459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.032459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.032459 (E_RNA)
where:
Base-Base interactions energy: -140.365
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.028
local terms energy: -71.639026
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -20.250
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: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -196.261900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.261900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.261900 (E_RNA)
where:
Base-Base interactions energy: -128.346
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.006
local terms energy: -67.910507
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -191.882930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.882930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.882930 (E_RNA)
where:
Base-Base interactions energy: -129.508
where: short stacking energy: -52.439
Base-Backbone interact. energy: -0.846
local terms energy: -61.529451
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -17.988
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: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -163.575174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.575174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.575174 (E_RNA)
where:
Base-Base interactions energy: -99.634
where: short stacking energy: -53.961
Base-Backbone interact. energy: -0.686
local terms energy: -63.255678
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -98.565042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.565042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.565042 (E_RNA)
where:
Base-Base interactions energy: -44.072
where: short stacking energy: -27.474
Base-Backbone interact. energy: 1.871
local terms energy: -56.364132
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -82.048872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.048872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.048872 (E_RNA)
where:
Base-Base interactions energy: -29.758
where: short stacking energy: -25.608
Base-Backbone interact. energy: -0.098
local terms energy: -52.193698
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -76.413817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.413817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.413817 (E_RNA)
where:
Base-Base interactions energy: -32.743
where: short stacking energy: -27.981
Base-Backbone interact. energy: -0.167
local terms energy: -43.503776
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -1.932
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: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -86.008725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.008725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.008725 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -36.884
Base-Backbone interact. energy: -0.392
local terms energy: -48.033338
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -1.947
tors. eta vs tors. theta energy: -6.937
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: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -77.902284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.902284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.902284 (E_RNA)
where:
Base-Base interactions energy: -27.419
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.228
local terms energy: -50.255492
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -6.372
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: 5
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -76.553312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.553312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.553312 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -16.648
Base-Backbone interact. energy: 0.202
local terms energy: -40.293514
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -4.558
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -212.925040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.925040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.925040 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.001
local terms energy: -77.866699
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -183.122618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.122618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.122618 (E_RNA)
where:
Base-Base interactions energy: -116.142
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.032
local terms energy: -66.948410
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -16.182
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: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -150.148985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.148985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.148985 (E_RNA)
where:
Base-Base interactions energy: -91.620
where: short stacking energy: -44.102
Base-Backbone interact. energy: 0.584
local terms energy: -59.113016
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -200.364151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.364151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.364151 (E_RNA)
where:
Base-Base interactions energy: -136.596
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.315
local terms energy: -63.453276
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -107.618189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.618189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.618189 (E_RNA)
where:
Base-Base interactions energy: -50.552
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.083
local terms energy: -56.983070
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -7.512
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: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -92.541985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.541985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.541985 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.550
local terms energy: -63.576868
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -89.490872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.490872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.490872 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -31.189
Base-Backbone interact. energy: -0.859
local terms energy: -54.338721
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -3.812
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: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -76.537609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.537609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.537609 (E_RNA)
where:
Base-Base interactions energy: -27.228
where: short stacking energy: -20.712
Base-Backbone interact. energy: 0.684
local terms energy: -49.993971
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: 2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -88.062845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.062845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.062845 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.038
local terms energy: -49.569983
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -12.157
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: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -76.044471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.044471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.044471 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -21.778
Base-Backbone interact. energy: -0.171
local terms energy: -43.284998
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -1.870
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -211.967456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.967456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.967456 (E_RNA)
where:
Base-Base interactions energy: -136.615
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.001
local terms energy: -75.351360
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -204.048084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.048084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.048084 (E_RNA)
where:
Base-Base interactions energy: -131.041
where: short stacking energy: -50.324
Base-Backbone interact. energy: -0.000
local terms energy: -73.006774
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -164.137111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.137111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.137111 (E_RNA)
where:
Base-Base interactions energy: -90.733
where: short stacking energy: -45.413
Base-Backbone interact. energy: -2.088
local terms energy: -71.315980
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.137
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: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -169.320588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.320588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.320588 (E_RNA)
where:
Base-Base interactions energy: -103.867
where: short stacking energy: -49.949
Base-Backbone interact. energy: -0.241
local terms energy: -65.212221
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.388
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -113.594361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.594361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.594361 (E_RNA)
where:
Base-Base interactions energy: -69.056
where: short stacking energy: -31.710
Base-Backbone interact. energy: 0.207
local terms energy: -44.745920
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -95.717993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.717993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.717993 (E_RNA)
where:
Base-Base interactions energy: -47.612
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.471
local terms energy: -47.635477
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -87.436757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.436757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.436757 (E_RNA)
where:
Base-Base interactions energy: -35.747
where: short stacking energy: -35.747
Base-Backbone interact. energy: -0.094
local terms energy: -51.595321
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -8.528
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: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -92.298468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.298468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.298468 (E_RNA)
where:
Base-Base interactions energy: -42.732
where: short stacking energy: -35.905
Base-Backbone interact. energy: -0.396
local terms energy: -49.170894
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -1.857
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: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -82.451756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.451756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.451756 (E_RNA)
where:
Base-Base interactions energy: -39.370
where: short stacking energy: -13.579
Base-Backbone interact. energy: -0.121
local terms energy: -42.960907
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -73.116891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.116891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.116891 (E_RNA)
where:
Base-Base interactions energy: -19.324
where: short stacking energy: -19.324
Base-Backbone interact. energy: 0.314
local terms energy: -54.106977
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -207.781567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781567 (E_RNA)
where:
Base-Base interactions energy: -132.621
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.135
local terms energy: -75.025914
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -20.599
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -200.303365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.303365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.303365 (E_RNA)
where:
Base-Base interactions energy: -123.095
where: short stacking energy: -55.885
Base-Backbone interact. energy: -0.799
local terms energy: -76.410078
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -18.251
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: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -154.351313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.351313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.351313 (E_RNA)
where:
Base-Base interactions energy: -90.506
where: short stacking energy: -43.398
Base-Backbone interact. energy: -1.521
local terms energy: -62.323895
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -10.199
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: 36
Temperature: 1.050000
Total energy: -153.789126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.789126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.789126 (E_RNA)
where:
Base-Base interactions energy: -94.264
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.016
local terms energy: -59.509831
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -10.630
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: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -108.968140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.968140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.968140 (E_RNA)
where:
Base-Base interactions energy: -48.202
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.012
local terms energy: -60.754135
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.520
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: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -113.293935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.293935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.293935 (E_RNA)
where:
Base-Base interactions energy: -63.059
where: short stacking energy: -35.831
Base-Backbone interact. energy: -0.043
local terms energy: -50.191623
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -78.542051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.542051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.542051 (E_RNA)
where:
Base-Base interactions energy: -25.038
where: short stacking energy: -25.038
Base-Backbone interact. energy: -0.194
local terms energy: -53.309798
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -3.000
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: 36
Temperature: 1.250000
Total energy: -76.183332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.183332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.183332 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.003
local terms energy: -47.619761
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -1.676
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: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -76.981655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.981655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.981655 (E_RNA)
where:
Base-Base interactions energy: -30.210
where: short stacking energy: -27.911
Base-Backbone interact. energy: -0.427
local terms energy: -46.345126
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -73.221606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.221606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.221606 (E_RNA)
where:
Base-Base interactions energy: -20.442
where: short stacking energy: -20.442
Base-Backbone interact. energy: 0.834
local terms energy: -53.613471
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -195.491356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.491356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.491356 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.037
local terms energy: -62.763475
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -157.796118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.796118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.796118 (E_RNA)
where:
Base-Base interactions energy: -94.045
where: short stacking energy: -41.905
Base-Backbone interact. energy: -0.330
local terms energy: -63.421856
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -13.090
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: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -204.475876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.475876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.475876 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.032
local terms energy: -69.425856
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -169.544939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.544939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.544939 (E_RNA)
where:
Base-Base interactions energy: -110.898
where: short stacking energy: -52.181
Base-Backbone interact. energy: -0.207
local terms energy: -58.440095
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -106.160195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.160195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.160195 (E_RNA)
where:
Base-Base interactions energy: -56.541
where: short stacking energy: -34.066
Base-Backbone interact. energy: 0.139
local terms energy: -49.757483
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -5.245
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -110.849694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.849694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.849694 (E_RNA)
where:
Base-Base interactions energy: -58.109
where: short stacking energy: -26.211
Base-Backbone interact. energy: -1.448
local terms energy: -51.292880
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -107.252196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.252196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.252196 (E_RNA)
where:
Base-Base interactions energy: -55.455
where: short stacking energy: -32.932
Base-Backbone interact. energy: -0.895
local terms energy: -50.902325
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -6.957
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: 37
Temperature: 1.250000
Total energy: -97.989694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.989694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.989694 (E_RNA)
where:
Base-Base interactions energy: -37.890
where: short stacking energy: -30.333
Base-Backbone interact. energy: -0.252
local terms energy: -59.847823
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -10.211
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: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -81.133995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.133995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.133995 (E_RNA)
where:
Base-Base interactions energy: -27.550
where: short stacking energy: -24.867
Base-Backbone interact. energy: 0.872
local terms energy: -54.455630
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -68.549743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.549743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.549743 (E_RNA)
where:
Base-Base interactions energy: -21.353
where: short stacking energy: -17.786
Base-Backbone interact. energy: -0.070
local terms energy: -47.127188
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -200.480465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.480465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.480465 (E_RNA)
where:
Base-Base interactions energy: -128.550
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.253
local terms energy: -71.677754
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -171.598737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.598737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.598737 (E_RNA)
where:
Base-Base interactions energy: -111.640
where: short stacking energy: -50.633
Base-Backbone interact. energy: -0.018
local terms energy: -59.940063
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -185.272199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.272199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.272199 (E_RNA)
where:
Base-Base interactions energy: -114.625
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.291
local terms energy: -70.355673
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.413
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: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -177.832887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.832887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.832887 (E_RNA)
where:
Base-Base interactions energy: -119.633
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.954
local terms energy: -57.245186
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -11.257
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: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -147.225921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.225921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.225921 (E_RNA)
where:
Base-Base interactions energy: -86.495
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.128
local terms energy: -60.602754
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -12.260
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -104.521305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.521305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.521305 (E_RNA)
where:
Base-Base interactions energy: -51.978
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.541
local terms energy: -52.002069
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -93.289267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.289267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.289267 (E_RNA)
where:
Base-Base interactions energy: -45.739
where: short stacking energy: -37.100
Base-Backbone interact. energy: -0.041
local terms energy: -47.508974
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -84.825415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.825415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.825415 (E_RNA)
where:
Base-Base interactions energy: -31.276
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.136
local terms energy: -53.413968
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -74.964382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964382 (E_RNA)
where:
Base-Base interactions energy: -21.398
where: short stacking energy: -21.398
Base-Backbone interact. energy: -0.056
local terms energy: -53.510288
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -81.973358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.973358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.973358 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.072
local terms energy: -42.490637
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -212.431338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.431338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.431338 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -62.964
Base-Backbone interact. energy: -0.000
local terms energy: -77.471830
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -20.775
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: 39
Temperature: 0.950000
Total energy: -194.856991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.856991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.856991 (E_RNA)
where:
Base-Base interactions energy: -122.311
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.492
local terms energy: -72.053785
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -179.247285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.247285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.247285 (E_RNA)
where:
Base-Base interactions energy: -111.289
where: short stacking energy: -53.771
Base-Backbone interact. energy: 0.348
local terms energy: -68.307012
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -163.678931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.678931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.678931 (E_RNA)
where:
Base-Base interactions energy: -105.302
where: short stacking energy: -38.175
Base-Backbone interact. energy: 0.400
local terms energy: -58.777647
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -155.624666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.624666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.624666 (E_RNA)
where:
Base-Base interactions energy: -98.486
where: short stacking energy: -45.521
Base-Backbone interact. energy: -0.281
local terms energy: -56.858320
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -11.451
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: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -99.131581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.131581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.131581 (E_RNA)
where:
Base-Base interactions energy: -43.515
where: short stacking energy: -28.048
Base-Backbone interact. energy: -0.013
local terms energy: -55.603977
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -108.298972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.298972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.298972 (E_RNA)
where:
Base-Base interactions energy: -48.069
where: short stacking energy: -45.679
Base-Backbone interact. energy: -0.037
local terms energy: -60.193329
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -77.794240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.794240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.794240 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.141
local terms energy: -42.896958
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -71.294426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.294426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.294426 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -21.077
Base-Backbone interact. energy: -0.322
local terms energy: -45.655753
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -77.898376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.898376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.898376 (E_RNA)
where:
Base-Base interactions energy: -32.894
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.004
local terms energy: -44.999793
where:
bonds (distance) C4'-P energy: -5.322
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -4.908
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: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -210.582527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.582527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.582527 (E_RNA)
where:
Base-Base interactions energy: -140.908
where: short stacking energy: -64.015
Base-Backbone interact. energy: 0.211
local terms energy: -69.886238
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -10.318
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: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -185.129891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.129891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.129891 (E_RNA)
where:
Base-Base interactions energy: -120.270
where: short stacking energy: -55.257
Base-Backbone interact. energy: -0.147
local terms energy: -64.713292
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -7.148
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: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -162.822897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.822897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.822897 (E_RNA)
where:
Base-Base interactions energy: -103.766
where: short stacking energy: -34.714
Base-Backbone interact. energy: -0.289
local terms energy: -58.767763
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -172.111754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.111754 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -38.687
Base-Backbone interact. energy: -0.243
local terms energy: -59.454287
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -7.123
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: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -149.409548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.409548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.409548 (E_RNA)
where:
Base-Base interactions energy: -93.266
where: short stacking energy: -38.915
Base-Backbone interact. energy: -0.142
local terms energy: -56.000993
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -85.614464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.614464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.614464 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.113
local terms energy: -39.869882
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -8.592
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -87.332389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.332389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.332389 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.284
local terms energy: -54.379888
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -76.109705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.109705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.109705 (E_RNA)
where:
Base-Base interactions energy: -35.848
where: short stacking energy: -25.627
Base-Backbone interact. energy: -0.041
local terms energy: -40.220788
where:
bonds (distance) C4'-P energy: -6.164
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -6.544
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -74.726510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.726510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.726510 (E_RNA)
where:
Base-Base interactions energy: -35.571
where: short stacking energy: -35.571
Base-Backbone interact. energy: -1.123
local terms energy: -38.032366
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -5.737
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: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -72.751581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.751581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.751581 (E_RNA)
where:
Base-Base interactions energy: -27.882
where: short stacking energy: -20.062
Base-Backbone interact. energy: -0.168
local terms energy: -44.701485
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -220.898222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.898222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.898222 (E_RNA)
where:
Base-Base interactions energy: -143.724
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.289
local terms energy: -76.885038
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -187.232837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.232837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.232837 (E_RNA)
where:
Base-Base interactions energy: -121.390
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.314
local terms energy: -65.528772
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -146.834566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.834566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.834566 (E_RNA)
where:
Base-Base interactions energy: -90.425
where: short stacking energy: -41.327
Base-Backbone interact. energy: -0.125
local terms energy: -56.284770
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -172.980280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.980280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.980280 (E_RNA)
where:
Base-Base interactions energy: -104.420
where: short stacking energy: -49.783
Base-Backbone interact. energy: -0.047
local terms energy: -68.513826
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -184.675379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.675379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.675379 (E_RNA)
where:
Base-Base interactions energy: -111.279
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.017
local terms energy: -73.379491
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -97.206773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.206773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.206773 (E_RNA)
where:
Base-Base interactions energy: -37.983
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.528
local terms energy: -58.696342
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -12.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -80.836225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.836225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.836225 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -32.634
Base-Backbone interact. energy: -0.236
local terms energy: -45.126326
where:
bonds (distance) C4'-P energy: -6.439
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -88.961964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.961964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.961964 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -37.394
Base-Backbone interact. energy: -0.012
local terms energy: -45.663796
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -77.145141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.145141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.145141 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -20.876
Base-Backbone interact. energy: -0.043
local terms energy: -44.095834
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -73.851439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.851439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.851439 (E_RNA)
where:
Base-Base interactions energy: -22.413
where: short stacking energy: -21.139
Base-Backbone interact. energy: -0.198
local terms energy: -51.240462
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -6.871
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -211.045872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.045872 (E_RNA)
where:
Base-Base interactions energy: -135.266
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.052
local terms energy: -75.727801
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -179.420105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.420105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.420105 (E_RNA)
where:
Base-Base interactions energy: -116.421
where: short stacking energy: -50.845
Base-Backbone interact. energy: -0.111
local terms energy: -62.887475
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -173.756394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.756394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.756394 (E_RNA)
where:
Base-Base interactions energy: -107.420
where: short stacking energy: -49.117
Base-Backbone interact. energy: -0.738
local terms energy: -65.597897
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -155.631364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.631364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.631364 (E_RNA)
where:
Base-Base interactions energy: -111.250
where: short stacking energy: -43.167
Base-Backbone interact. energy: 0.874
local terms energy: -45.255013
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -8.204
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: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -168.264036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.264036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264036 (E_RNA)
where:
Base-Base interactions energy: -115.595
where: short stacking energy: -51.850
Base-Backbone interact. energy: -0.013
local terms energy: -52.656051
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -99.676222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.676222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.676222 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -40.437
Base-Backbone interact. energy: -0.092
local terms energy: -59.247549
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -93.123460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.123460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.123460 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.156
local terms energy: -60.659589
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -105.188990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.188990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.188990 (E_RNA)
where:
Base-Base interactions energy: -68.959
where: short stacking energy: -29.442
Base-Backbone interact. energy: -0.104
local terms energy: -36.126150
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -0.703
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -78.737130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.737130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.737130 (E_RNA)
where:
Base-Base interactions energy: -26.353
where: short stacking energy: -24.048
Base-Backbone interact. energy: -0.199
local terms energy: -52.185507
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -82.717843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.717843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.717843 (E_RNA)
where:
Base-Base interactions energy: -32.688
where: short stacking energy: -32.688
Base-Backbone interact. energy: 0.081
local terms energy: -50.110762
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -3.335
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -204.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222060 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.089
local terms energy: -72.408946
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -167.496899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.496899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.496899 (E_RNA)
where:
Base-Base interactions energy: -103.807
where: short stacking energy: -41.643
Base-Backbone interact. energy: -0.107
local terms energy: -63.582941
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -193.976246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.976246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.976246 (E_RNA)
where:
Base-Base interactions energy: -121.821
where: short stacking energy: -53.899
Base-Backbone interact. energy: 0.453
local terms energy: -72.608489
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -171.079341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.079341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.079341 (E_RNA)
where:
Base-Base interactions energy: -105.786
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.475
local terms energy: -64.818716
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -176.618446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.618446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.618446 (E_RNA)
where:
Base-Base interactions energy: -108.234
where: short stacking energy: -50.716
Base-Backbone interact. energy: -0.121
local terms energy: -68.263878
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -103.329810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.329810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.329810 (E_RNA)
where:
Base-Base interactions energy: -48.965
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.108
local terms energy: -54.256815
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -8.402
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -8.813
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: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -89.580439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.580439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.580439 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -34.859
Base-Backbone interact. energy: 0.570
local terms energy: -53.794261
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -89.008144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.008144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.008144 (E_RNA)
where:
Base-Base interactions energy: -51.583
where: short stacking energy: -24.126
Base-Backbone interact. energy: -0.236
local terms energy: -37.189041
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -2.368
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -80.781154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.781154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.781154 (E_RNA)
where:
Base-Base interactions energy: -31.966
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.295
local terms energy: -48.519567
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: 1.267
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: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -67.677965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.677965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.677965 (E_RNA)
where:
Base-Base interactions energy: -26.106
where: short stacking energy: -14.333
Base-Backbone interact. energy: -0.688
local terms energy: -40.883629
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: 1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -199.972900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.972900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.972900 (E_RNA)
where:
Base-Base interactions energy: -128.904
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.480
local terms energy: -70.589764
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -9.307
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: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -166.129783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.129783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.129783 (E_RNA)
where:
Base-Base interactions energy: -99.329
where: short stacking energy: -48.971
Base-Backbone interact. energy: 0.254
local terms energy: -67.054004
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -203.716882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.716882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.716882 (E_RNA)
where:
Base-Base interactions energy: -142.148
where: short stacking energy: -52.790
Base-Backbone interact. energy: 0.668
local terms energy: -62.236618
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -8.795
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: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -181.646032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.646032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.646032 (E_RNA)
where:
Base-Base interactions energy: -111.583
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.866
local terms energy: -69.197689
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -18.896
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: 44
Temperature: 1.100000
Total energy: -161.999215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.999215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.999215 (E_RNA)
where:
Base-Base interactions energy: -107.031
where: short stacking energy: -37.676
Base-Backbone interact. energy: -1.658
local terms energy: -53.309669
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -95.854804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.854804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.854804 (E_RNA)
where:
Base-Base interactions energy: -33.696
where: short stacking energy: -33.696
Base-Backbone interact. energy: -0.038
local terms energy: -62.120769
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -83.908706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908706 (E_RNA)
where:
Base-Base interactions energy: -34.913
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.183
local terms energy: -48.813302
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -2.209
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: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -88.019930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.019930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.019930 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -36.572
Base-Backbone interact. energy: -0.085
local terms energy: -51.362700
where:
bonds (distance) C4'-P energy: -6.719
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -10.593
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: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -77.325328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.325328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.325328 (E_RNA)
where:
Base-Base interactions energy: -29.308
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.402
local terms energy: -47.614636
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -2.066
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: 10, replica: 3
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -74.410301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.410301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.410301 (E_RNA)
where:
Base-Base interactions energy: -26.766
where: short stacking energy: -24.096
Base-Backbone interact. energy: 0.647
local terms energy: -48.291122
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -209.746817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.746817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.746817 (E_RNA)
where:
Base-Base interactions energy: -131.825
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.003
local terms energy: -77.919044
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -182.032562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.032562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.032562 (E_RNA)
where:
Base-Base interactions energy: -120.667
where: short stacking energy: -46.534
Base-Backbone interact. energy: -1.100
local terms energy: -60.266082
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -12.892
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: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -183.203190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.203190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.203190 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -53.765
Base-Backbone interact. energy: -0.174
local terms energy: -64.930750
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -17.858
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: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -171.866746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.866746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.866746 (E_RNA)
where:
Base-Base interactions energy: -103.803
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.100
local terms energy: -67.963518
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -18.594
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: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -161.799947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.799947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.799947 (E_RNA)
where:
Base-Base interactions energy: -117.426
where: short stacking energy: -42.433
Base-Backbone interact. energy: -0.073
local terms energy: -44.300175
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -2.298
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -9.794
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: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -99.061056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.061056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.061056 (E_RNA)
where:
Base-Base interactions energy: -38.297
where: short stacking energy: -32.137
Base-Backbone interact. energy: -0.302
local terms energy: -60.462017
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -109.286244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.286244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.286244 (E_RNA)
where:
Base-Base interactions energy: -52.911
where: short stacking energy: -32.133
Base-Backbone interact. energy: -0.001
local terms energy: -56.374627
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -91.507175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.507175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.507175 (E_RNA)
where:
Base-Base interactions energy: -43.288
where: short stacking energy: -33.821
Base-Backbone interact. energy: 0.605
local terms energy: -48.824463
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -72.615756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.615756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.615756 (E_RNA)
where:
Base-Base interactions energy: -28.574
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.230
local terms energy: -43.812241
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -5.694
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.415831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.415831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.415831 (E_RNA)
where:
Base-Base interactions energy: -26.352
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.099
local terms energy: -50.964370
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -209.925155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.925155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.925155 (E_RNA)
where:
Base-Base interactions energy: -137.828
where: short stacking energy: -58.352
Base-Backbone interact. energy: -0.001
local terms energy: -72.095854
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.923
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: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -185.275152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.275152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.275152 (E_RNA)
where:
Base-Base interactions energy: -115.854
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.160
local terms energy: -69.260598
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -20.875
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: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -171.622740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.622740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.622740 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -43.824
Base-Backbone interact. energy: -0.066
local terms energy: -63.138401
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -160.416868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.416868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.416868 (E_RNA)
where:
Base-Base interactions energy: -98.847
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.006
local terms energy: -61.564071
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -194.017218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.017218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.017218 (E_RNA)
where:
Base-Base interactions energy: -134.836
where: short stacking energy: -48.020
Base-Backbone interact. energy: -0.049
local terms energy: -59.131706
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -9.732
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: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -146.718142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.718142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.718142 (E_RNA)
where:
Base-Base interactions energy: -91.898
where: short stacking energy: -41.760
Base-Backbone interact. energy: -0.195
local terms energy: -54.624790
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -90.889936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.889936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.889936 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.189
local terms energy: -50.480362
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -7.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -90.880545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.880545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.880545 (E_RNA)
where:
Base-Base interactions energy: -52.991
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.356
local terms energy: -37.533180
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -2.442
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: 9, replica: 3
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -74.487214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.487214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.487214 (E_RNA)
where:
Base-Base interactions energy: -32.202
where: short stacking energy: -26.981
Base-Backbone interact. energy: -0.344
local terms energy: -41.941358
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -8.907
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: 0.324
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -81.967596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967596 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -29.414
Base-Backbone interact. energy: 0.920
local terms energy: -47.382990
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -204.538162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538162 (E_RNA)
where:
Base-Base interactions energy: -132.598
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.003
local terms energy: -71.936986
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -6.609
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: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -188.795879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.795879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.795879 (E_RNA)
where:
Base-Base interactions energy: -121.879
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.014
local terms energy: -66.902590
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.703
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: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -186.867174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.867174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.867174 (E_RNA)
where:
Base-Base interactions energy: -118.946
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.329
local terms energy: -67.591766
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -157.016584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.016584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.016584 (E_RNA)
where:
Base-Base interactions energy: -99.998
where: short stacking energy: -40.854
Base-Backbone interact. energy: -0.707
local terms energy: -56.312038
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -6.854
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: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -158.801117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.801117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.801117 (E_RNA)
where:
Base-Base interactions energy: -96.796
where: short stacking energy: -47.133
Base-Backbone interact. energy: -0.057
local terms energy: -61.948549
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -7.521
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: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -152.423249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.423249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.423249 (E_RNA)
where:
Base-Base interactions energy: -91.724
where: short stacking energy: -43.922
Base-Backbone interact. energy: -0.002
local terms energy: -60.697520
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -9.899
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: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -120.035022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.035022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.035022 (E_RNA)
where:
Base-Base interactions energy: -58.882
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.865
local terms energy: -60.287664
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -86.194646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.194646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.194646 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.099
local terms energy: -48.372463
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -4.750
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: 47
Temperature: 1.300000
Total energy: -75.643302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.643302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.643302 (E_RNA)
where:
Base-Base interactions energy: -26.356
where: short stacking energy: -25.959
Base-Backbone interact. energy: 1.336
local terms energy: -50.623355
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -6.440
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: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -79.281656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.281656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.281656 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -25.491
Base-Backbone interact. energy: -0.354
local terms energy: -40.197150
where:
bonds (distance) C4'-P energy: -4.676
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -205.840681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.840681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.840681 (E_RNA)
where:
Base-Base interactions energy: -143.303
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.001
local terms energy: -62.536366
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -8.246
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: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -192.974730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.974730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.974730 (E_RNA)
where:
Base-Base interactions energy: -120.165
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.001
local terms energy: -72.808994
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -184.366028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.366028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.366028 (E_RNA)
where:
Base-Base interactions energy: -120.218
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.075
local terms energy: -64.072680
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -15.967
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: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -159.711638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.711638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.711638 (E_RNA)
where:
Base-Base interactions energy: -101.188
where: short stacking energy: -41.646
Base-Backbone interact. energy: 1.094
local terms energy: -59.617155
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -162.323133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.323133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.323133 (E_RNA)
where:
Base-Base interactions energy: -96.633
where: short stacking energy: -41.361
Base-Backbone interact. energy: -0.167
local terms energy: -65.522607
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -156.510646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.510646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.510646 (E_RNA)
where:
Base-Base interactions energy: -96.424
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.081
local terms energy: -60.005501
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -84.982915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.982915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.982915 (E_RNA)
where:
Base-Base interactions energy: -36.536
where: short stacking energy: -33.965
Base-Backbone interact. energy: 0.359
local terms energy: -48.806739
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -85.969111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.969111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.969111 (E_RNA)
where:
Base-Base interactions energy: -41.131
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.094
local terms energy: -44.743771
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -5.848
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -78.201806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201806 (E_RNA)
where:
Base-Base interactions energy: -27.705
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.179
local terms energy: -50.317519
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -8.871
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: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -81.211166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.211166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.211166 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -28.189
Base-Backbone interact. energy: -0.006
local terms energy: -53.016440
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -213.398475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.398475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.398475 (E_RNA)
where:
Base-Base interactions energy: -144.248
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.124
local terms energy: -69.026655
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -16.226
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: 49
Temperature: 0.950000
Total energy: -165.064842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.064842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.064842 (E_RNA)
where:
Base-Base interactions energy: -105.532
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.117
local terms energy: -59.415892
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -181.175774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.175774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.175774 (E_RNA)
where:
Base-Base interactions energy: -117.518
where: short stacking energy: -50.053
Base-Backbone interact. energy: -0.007
local terms energy: -63.651354
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -1.912
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -163.410843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.410843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.410843 (E_RNA)
where:
Base-Base interactions energy: -95.052
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.010
local terms energy: -68.349417
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -147.770420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.770420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.770420 (E_RNA)
where:
Base-Base interactions energy: -97.212
where: short stacking energy: -41.719
Base-Backbone interact. energy: -0.218
local terms energy: -50.340176
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -6.233
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -146.164696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.164696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.164696 (E_RNA)
where:
Base-Base interactions energy: -85.893
where: short stacking energy: -40.575
Base-Backbone interact. energy: -0.316
local terms energy: -59.955624
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -12.793
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: 7, replica: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -90.598268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598268 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.034
local terms energy: -52.936357
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -13.238
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: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -90.183436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.183436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.183436 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -23.054
Base-Backbone interact. energy: -0.042
local terms energy: -43.809498
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -3.859
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: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -78.409178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.409178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.409178 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -30.085
Base-Backbone interact. energy: -0.056
local terms energy: -43.030110
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -73.244044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.244044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.244044 (E_RNA)
where:
Base-Base interactions energy: -20.148
where: short stacking energy: -20.148
Base-Backbone interact. energy: -0.045
local terms energy: -53.050466
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -9.336
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: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -207.265304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.265304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.265304 (E_RNA)
where:
Base-Base interactions energy: -148.736
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.080
local terms energy: -58.449322
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -181.830884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.830884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.830884 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -49.180
Base-Backbone interact. energy: -0.008
local terms energy: -63.953295
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.522
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: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -198.697779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.697779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.697779 (E_RNA)
where:
Base-Base interactions energy: -125.200
where: short stacking energy: -56.611
Base-Backbone interact. energy: -1.080
local terms energy: -72.416847
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -7.794
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: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -169.479708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.479708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.479708 (E_RNA)
where:
Base-Base interactions energy: -113.559
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.217
local terms energy: -55.704132
where:
bonds (distance) C4'-P energy: -7.008
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -16.403
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: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -147.256343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.256343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.256343 (E_RNA)
where:
Base-Base interactions energy: -91.520
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.668
local terms energy: -55.067657
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -154.120036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.120036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.120036 (E_RNA)
where:
Base-Base interactions energy: -99.459
where: short stacking energy: -41.425
Base-Backbone interact. energy: -0.205
local terms energy: -54.455784
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -87.043243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.043243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.043243 (E_RNA)
where:
Base-Base interactions energy: -52.529
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.218
local terms energy: -34.296034
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -4.176
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -78.770911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.770911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.770911 (E_RNA)
where:
Base-Base interactions energy: -27.518
where: short stacking energy: -20.021
Base-Backbone interact. energy: -0.163
local terms energy: -51.089818
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -0.812
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: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -85.183347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.183347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.183347 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -33.010
Base-Backbone interact. energy: -0.189
local terms energy: -51.983606
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -6.418
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: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -71.795593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.795593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.795593 (E_RNA)
where:
Base-Base interactions energy: -20.833
where: short stacking energy: -15.091
Base-Backbone interact. energy: -0.151
local terms energy: -50.811271
where:
bonds (distance) C4'-P energy: -8.473
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.693
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: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -209.057765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.057765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.057765 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.003
local terms energy: -69.529818
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -14.966
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: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -183.424386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.424386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.424386 (E_RNA)
where:
Base-Base interactions energy: -110.722
where: short stacking energy: -53.838
Base-Backbone interact. energy: -0.013
local terms energy: -72.688969
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.786
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: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -187.877024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.877024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.877024 (E_RNA)
where:
Base-Base interactions energy: -118.655
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.100
local terms energy: -69.121789
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -170.564475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.564475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.564475 (E_RNA)
where:
Base-Base interactions energy: -105.227
where: short stacking energy: -46.288
Base-Backbone interact. energy: -0.195
local terms energy: -65.142863
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -160.201737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.201737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.201737 (E_RNA)
where:
Base-Base interactions energy: -97.761
where: short stacking energy: -40.136
Base-Backbone interact. energy: 1.447
local terms energy: -63.887938
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -129.204373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.204373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.204373 (E_RNA)
where:
Base-Base interactions energy: -75.525
where: short stacking energy: -40.365
Base-Backbone interact. energy: -0.226
local terms energy: -53.453187
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -88.595097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.595097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.595097 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -33.719
Base-Backbone interact. energy: 0.043
local terms energy: -44.621177
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -88.962693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.962693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.962693 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -28.139
Base-Backbone interact. energy: -0.222
local terms energy: -51.113265
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -89.721762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721762 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -26.887
Base-Backbone interact. energy: -0.196
local terms energy: -47.206026
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -3.050
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -66.589591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.589591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.589591 (E_RNA)
where:
Base-Base interactions energy: -23.795
where: short stacking energy: -20.317
Base-Backbone interact. energy: -0.160
local terms energy: -42.634567
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -7.482
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: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -208.620894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.620894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.620894 (E_RNA)
where:
Base-Base interactions energy: -143.579
where: short stacking energy: -45.280
Base-Backbone interact. energy: -0.077
local terms energy: -64.964389
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -188.819812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.819812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.819812 (E_RNA)
where:
Base-Base interactions energy: -118.333
where: short stacking energy: -60.349
Base-Backbone interact. energy: 0.265
local terms energy: -70.751121
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -168.962610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.962610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.962610 (E_RNA)
where:
Base-Base interactions energy: -104.687
where: short stacking energy: -47.711
Base-Backbone interact. energy: -0.001
local terms energy: -64.273928
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -183.713123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.713123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.713123 (E_RNA)
where:
Base-Base interactions energy: -118.290
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.526
local terms energy: -64.898043
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -127.286783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.286783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.286783 (E_RNA)
where:
Base-Base interactions energy: -71.393
where: short stacking energy: -42.425
Base-Backbone interact. energy: -0.008
local terms energy: -55.886487
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -167.888178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.888178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.888178 (E_RNA)
where:
Base-Base interactions energy: -108.040
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.379
local terms energy: -59.468966
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -98.603360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.603360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.603360 (E_RNA)
where:
Base-Base interactions energy: -46.970
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.183
local terms energy: -51.450328
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -84.739743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739743 (E_RNA)
where:
Base-Base interactions energy: -34.646
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.302
local terms energy: -49.791921
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 2.833
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: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -82.124996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.124996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.124996 (E_RNA)
where:
Base-Base interactions energy: -34.625
where: short stacking energy: -34.625
Base-Backbone interact. energy: -0.065
local terms energy: -47.435136
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -73.207554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.207554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.207554 (E_RNA)
where:
Base-Base interactions energy: -27.335
where: short stacking energy: -21.718
Base-Backbone interact. energy: -0.140
local terms energy: -45.732843
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: 3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -201.665407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.665407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.665407 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -49.065
Base-Backbone interact. energy: -0.104
local terms energy: -64.487448
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.367
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: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -177.119145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.119145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.119145 (E_RNA)
where:
Base-Base interactions energy: -108.543
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.166
local terms energy: -68.410439
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -172.739761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.739761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.739761 (E_RNA)
where:
Base-Base interactions energy: -109.856
where: short stacking energy: -50.005
Base-Backbone interact. energy: 0.238
local terms energy: -63.121689
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -13.414
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: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -178.697714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.697714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.697714 (E_RNA)
where:
Base-Base interactions energy: -114.395
where: short stacking energy: -50.813
Base-Backbone interact. energy: -0.011
local terms energy: -64.292165
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -115.061840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.061840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.061840 (E_RNA)
where:
Base-Base interactions energy: -63.643
where: short stacking energy: -41.165
Base-Backbone interact. energy: -0.215
local terms energy: -51.203991
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -162.751386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.751386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.751386 (E_RNA)
where:
Base-Base interactions energy: -100.860
where: short stacking energy: -40.276
Base-Backbone interact. energy: -0.462
local terms energy: -61.429369
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -13.393
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: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -109.052495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.052495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.052495 (E_RNA)
where:
Base-Base interactions energy: -67.521
where: short stacking energy: -30.802
Base-Backbone interact. energy: -0.503
local terms energy: -41.028501
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -8.363
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -2.072
tors. eta vs tors. theta energy: -4.086
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: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -92.715204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715204 (E_RNA)
where:
Base-Base interactions energy: -46.293
where: short stacking energy: -20.150
Base-Backbone interact. energy: -0.257
local terms energy: -46.165389
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -6.448
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: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -103.847074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.847074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.847074 (E_RNA)
where:
Base-Base interactions energy: -56.145
where: short stacking energy: -34.495
Base-Backbone interact. energy: -0.251
local terms energy: -47.450388
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -82.169136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.169136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.169136 (E_RNA)
where:
Base-Base interactions energy: -27.975
where: short stacking energy: -23.133
Base-Backbone interact. energy: -0.046
local terms energy: -54.147663
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.156
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: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -211.091211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.091211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.091211 (E_RNA)
where:
Base-Base interactions energy: -140.651
where: short stacking energy: -52.169
Base-Backbone interact. energy: -0.004
local terms energy: -70.436948
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -181.708377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708377 (E_RNA)
where:
Base-Base interactions energy: -113.476
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.072
local terms energy: -68.160566
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -174.960114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.960114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.960114 (E_RNA)
where:
Base-Base interactions energy: -104.909
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.035
local terms energy: -70.016912
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -16.387
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: 4, replica: 1
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -174.671090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.671090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.671090 (E_RNA)
where:
Base-Base interactions energy: -113.299
where: short stacking energy: -52.862
Base-Backbone interact. energy: -0.006
local terms energy: -61.366156
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -170.537605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.537605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537605 (E_RNA)
where:
Base-Base interactions energy: -110.271
where: short stacking energy: -44.652
Base-Backbone interact. energy: -0.003
local terms energy: -60.263627
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -102.342475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.342475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.342475 (E_RNA)
where:
Base-Base interactions energy: -52.435
where: short stacking energy: -23.643
Base-Backbone interact. energy: -0.506
local terms energy: -49.401271
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -82.896265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.896265 (E_RNA)
where:
Base-Base interactions energy: -32.173
where: short stacking energy: -23.271
Base-Backbone interact. energy: -0.201
local terms energy: -50.522281
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -80.456877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.456877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.456877 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -21.296
Base-Backbone interact. energy: 1.311
local terms energy: -58.859314
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -6.169
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: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -74.553425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.553425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.553425 (E_RNA)
where:
Base-Base interactions energy: -26.686
where: short stacking energy: -23.417
Base-Backbone interact. energy: 1.155
local terms energy: -49.023245
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -3.251
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: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -87.289728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.289728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.289728 (E_RNA)
where:
Base-Base interactions energy: -47.956
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.082
local terms energy: -39.251314
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -6.411
flat angles P-C4'-P energy: -8.690
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: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -217.781125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.781125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.781125 (E_RNA)
where:
Base-Base interactions energy: -145.475
where: short stacking energy: -54.672
Base-Backbone interact. energy: -0.085
local terms energy: -72.220922
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -14.923
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: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -180.457404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.457404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.457404 (E_RNA)
where:
Base-Base interactions energy: -115.645
where: short stacking energy: -50.160
Base-Backbone interact. energy: -0.058
local terms energy: -64.753473
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -168.785684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.785684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.785684 (E_RNA)
where:
Base-Base interactions energy: -107.633
where: short stacking energy: -46.544
Base-Backbone interact. energy: -0.165
local terms energy: -60.987313
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -187.249059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.249059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.249059 (E_RNA)
where:
Base-Base interactions energy: -124.022
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.637
local terms energy: -62.590143
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -16.017
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: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -163.759856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.759856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.759856 (E_RNA)
where:
Base-Base interactions energy: -99.955
where: short stacking energy: -48.397
Base-Backbone interact. energy: -0.018
local terms energy: -63.786719
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -89.909902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.909902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.909902 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -35.174
Base-Backbone interact. energy: 0.698
local terms energy: -55.433638
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -8.008
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: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -87.140064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.140064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.140064 (E_RNA)
where:
Base-Base interactions energy: -38.950
where: short stacking energy: -34.406
Base-Backbone interact. energy: 1.288
local terms energy: -49.478626
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -9.369
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: 55
Temperature: 1.250000
Total energy: -79.095422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.095422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.095422 (E_RNA)
where:
Base-Base interactions energy: -32.414
where: short stacking energy: -30.766
Base-Backbone interact. energy: -0.118
local terms energy: -46.563361
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -70.793555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.793555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.793555 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -22.237
Base-Backbone interact. energy: -0.823
local terms energy: -35.117253
where:
bonds (distance) C4'-P energy: -7.616
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -0.594
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -82.046893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.046893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.046893 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -13.159
Base-Backbone interact. energy: -0.276
local terms energy: -41.883788
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: 5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -215.767171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.767171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.767171 (E_RNA)
where:
Base-Base interactions energy: -149.681
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.204
local terms energy: -65.882328
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -179.019533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.019533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.019533 (E_RNA)
where:
Base-Base interactions energy: -111.280
where: short stacking energy: -52.406
Base-Backbone interact. energy: -0.121
local terms energy: -67.619029
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -183.021401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.021401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.021401 (E_RNA)
where:
Base-Base interactions energy: -113.269
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.066
local terms energy: -69.685904
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -193.741687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.741687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.741687 (E_RNA)
where:
Base-Base interactions energy: -125.833
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.727
local terms energy: -67.181473
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -164.179490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.179490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.179490 (E_RNA)
where:
Base-Base interactions energy: -100.862
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.202
local terms energy: -63.114684
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -90.786248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.786248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.786248 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.025
local terms energy: -50.852525
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -2.723
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -91.581763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.581763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.581763 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.926
local terms energy: -51.835199
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -8.640
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -84.620737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.620737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.620737 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.012
local terms energy: -49.878130
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -84.102554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.102554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.102554 (E_RNA)
where:
Base-Base interactions energy: -32.874
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.517
local terms energy: -50.710961
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -71.949235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.949235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.949235 (E_RNA)
where:
Base-Base interactions energy: -32.332
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.055
local terms energy: -39.561993
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -3.858
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: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -214.417995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.417995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.417995 (E_RNA)
where:
Base-Base interactions energy: -145.654
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.471
local terms energy: -68.293337
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -15.905
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -186.139957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.139957 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.621
local terms energy: -64.644149
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -6.530
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: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -182.217074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.217074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.217074 (E_RNA)
where:
Base-Base interactions energy: -111.474
where: short stacking energy: -50.417
Base-Backbone interact. energy: -2.016
local terms energy: -68.726732
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -188.107341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.107341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.107341 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.001
local terms energy: -63.779669
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -160.166708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.166708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.166708 (E_RNA)
where:
Base-Base interactions energy: -93.138
where: short stacking energy: -43.451
Base-Backbone interact. energy: -1.407
local terms energy: -65.621774
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -96.477472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.477472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.477472 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.131
local terms energy: -59.475017
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.324
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: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -77.642802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.642802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.642802 (E_RNA)
where:
Base-Base interactions energy: -28.002
where: short stacking energy: -24.734
Base-Backbone interact. energy: -0.413
local terms energy: -49.228283
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -74.464623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.464623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.464623 (E_RNA)
where:
Base-Base interactions energy: -30.935
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.382
local terms energy: -43.147688
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -80.606926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.606926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.606926 (E_RNA)
where:
Base-Base interactions energy: -34.688
where: short stacking energy: -34.688
Base-Backbone interact. energy: 1.322
local terms energy: -47.240083
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: -7.002
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: 57
Temperature: 1.350000
Total energy: -71.940556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.940556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.940556 (E_RNA)
where:
Base-Base interactions energy: -21.338
where: short stacking energy: -20.785
Base-Backbone interact. energy: -1.145
local terms energy: -49.457343
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -201.500683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.500683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.500683 (E_RNA)
where:
Base-Base interactions energy: -128.232
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.002
local terms energy: -73.266160
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -180.998215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.998215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.998215 (E_RNA)
where:
Base-Base interactions energy: -112.121
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.313
local terms energy: -68.563856
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -194.798724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.798724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.798724 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -52.367
Base-Backbone interact. energy: -0.015
local terms energy: -67.845393
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -181.383432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.383432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.383432 (E_RNA)
where:
Base-Base interactions energy: -115.519
where: short stacking energy: -46.954
Base-Backbone interact. energy: -0.138
local terms energy: -65.726494
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.845
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: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -154.935854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.935854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.935854 (E_RNA)
where:
Base-Base interactions energy: -85.114
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.002
local terms energy: -69.820260
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -95.783497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.783497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.783497 (E_RNA)
where:
Base-Base interactions energy: -42.745
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.036
local terms energy: -53.002756
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -9.809
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: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -103.131134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.131134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.131134 (E_RNA)
where:
Base-Base interactions energy: -43.049
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.081
local terms energy: -60.000634
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -11.246
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: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -85.700009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.700009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.700009 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.798
local terms energy: -41.686021
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -6.621
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -0.345
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: 58
Temperature: 1.300000
Total energy: -81.794751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.794751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.794751 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -27.343
Base-Backbone interact. energy: -1.453
local terms energy: -49.386423
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -85.787942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787942 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -21.737
Base-Backbone interact. energy: -0.200
local terms energy: -48.391307
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -206.736868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.736868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736868 (E_RNA)
where:
Base-Base interactions energy: -141.865
where: short stacking energy: -50.080
Base-Backbone interact. energy: -0.010
local terms energy: -64.861775
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -16.209
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -196.865747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.865747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.865747 (E_RNA)
where:
Base-Base interactions energy: -128.510
where: short stacking energy: -53.232
Base-Backbone interact. energy: 0.151
local terms energy: -68.507181
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -164.594792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.594792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.594792 (E_RNA)
where:
Base-Base interactions energy: -109.220
where: short stacking energy: -51.475
Base-Backbone interact. energy: -0.002
local terms energy: -55.372855
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -4.415
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: 4, replica: 7
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -165.126802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.126802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.126802 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -50.329
Base-Backbone interact. energy: -0.023
local terms energy: -63.842569
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -118.401946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.401946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.401946 (E_RNA)
where:
Base-Base interactions energy: -70.087
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.216
local terms energy: -48.098736
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -96.483814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.483814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.483814 (E_RNA)
where:
Base-Base interactions energy: -44.343
where: short stacking energy: -39.095
Base-Backbone interact. energy: 0.930
local terms energy: -53.071558
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -98.272097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.272097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.272097 (E_RNA)
where:
Base-Base interactions energy: -45.052
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.524
local terms energy: -52.696857
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -3.832
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: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -81.818180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.818180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.818180 (E_RNA)
where:
Base-Base interactions energy: -38.527
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.109
local terms energy: -43.181548
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -6.284
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: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -76.682818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.682818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.682818 (E_RNA)
where:
Base-Base interactions energy: -29.471
where: short stacking energy: -28.962
Base-Backbone interact. energy: 1.086
local terms energy: -48.297865
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -1.548
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: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -74.781410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.781410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.781410 (E_RNA)
where:
Base-Base interactions energy: -26.314
where: short stacking energy: -26.159
Base-Backbone interact. energy: -0.443
local terms energy: -48.024610
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -3.440
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -195.206526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.206526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.206526 (E_RNA)
where:
Base-Base interactions energy: -121.957
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.002
local terms energy: -73.247746
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -198.572627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.572627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.572627 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.134
local terms energy: -72.615284
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -162.426709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.426709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.426709 (E_RNA)
where:
Base-Base interactions energy: -105.180
where: short stacking energy: -50.598
Base-Backbone interact. energy: -0.227
local terms energy: -57.018843
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -2.598
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: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -164.109558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.109558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.109558 (E_RNA)
where:
Base-Base interactions energy: -107.877
where: short stacking energy: -49.513
Base-Backbone interact. energy: -0.006
local terms energy: -56.226382
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -15.530
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: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -102.523299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.523299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.523299 (E_RNA)
where:
Base-Base interactions energy: -44.526
where: short stacking energy: -44.526
Base-Backbone interact. energy: 0.490
local terms energy: -58.487175
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -8.959
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: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -127.194467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.194467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.194467 (E_RNA)
where:
Base-Base interactions energy: -71.915
where: short stacking energy: -35.418
Base-Backbone interact. energy: -1.282
local terms energy: -53.997928
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -83.820039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.820039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.820039 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -15.586
Base-Backbone interact. energy: -0.138
local terms energy: -53.751865
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -1.865
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: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -79.723612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.723612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.723612 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -19.043
Base-Backbone interact. energy: -0.077
local terms energy: -44.820578
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.445
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: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -82.614089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.614089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.614089 (E_RNA)
where:
Base-Base interactions energy: -33.663
where: short stacking energy: -30.725
Base-Backbone interact. energy: -0.037
local terms energy: -48.914017
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -71.757814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.757814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.757814 (E_RNA)
where:
Base-Base interactions energy: -22.625
where: short stacking energy: -22.430
Base-Backbone interact. energy: -0.016
local terms energy: -49.116930
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -8.670
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: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -191.941844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.941844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.941844 (E_RNA)
where:
Base-Base interactions energy: -132.709
where: short stacking energy: -57.211
Base-Backbone interact. energy: -0.002
local terms energy: -59.230759
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -204.780283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.780283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.780283 (E_RNA)
where:
Base-Base interactions energy: -141.797
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.106
local terms energy: -62.877446
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -11.131
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: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -163.896254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.896254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.896254 (E_RNA)
where:
Base-Base interactions energy: -103.295
where: short stacking energy: -47.629
Base-Backbone interact. energy: 0.553
local terms energy: -61.154118
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -167.599049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.599049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.599049 (E_RNA)
where:
Base-Base interactions energy: -101.025
where: short stacking energy: -50.218
Base-Backbone interact. energy: -0.788
local terms energy: -65.786835
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -17.376
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -103.856420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.856420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.856420 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -40.922
Base-Backbone interact. energy: -0.187
local terms energy: -62.747392
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -9.143
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: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -99.040016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.040016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.040016 (E_RNA)
where:
Base-Base interactions energy: -50.571
where: short stacking energy: -34.430
Base-Backbone interact. energy: -0.124
local terms energy: -48.345372
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -6.752
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: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -129.580983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.580983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.580983 (E_RNA)
where:
Base-Base interactions energy: -78.092
where: short stacking energy: -35.352
Base-Backbone interact. energy: -0.199
local terms energy: -51.290432
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -6.552
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: 61
Temperature: 1.250000
Total energy: -87.607543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.607543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.607543 (E_RNA)
where:
Base-Base interactions energy: -36.450
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.191
local terms energy: -50.966294
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -7.304
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: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -90.565200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.565200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.565200 (E_RNA)
where:
Base-Base interactions energy: -38.012
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.212
local terms energy: -52.341187
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -78.981175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.981175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.981175 (E_RNA)
where:
Base-Base interactions energy: -31.665
where: short stacking energy: -23.501
Base-Backbone interact. energy: -0.203
local terms energy: -47.113230
where:
bonds (distance) C4'-P energy: -7.513
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -207.332520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.332520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.332520 (E_RNA)
where:
Base-Base interactions energy: -136.672
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.114
local terms energy: -70.546590
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.527
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: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -196.886353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.886353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.886353 (E_RNA)
where:
Base-Base interactions energy: -123.097
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.004
local terms energy: -73.785741
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -10.658
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -180.553211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.553211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.553211 (E_RNA)
where:
Base-Base interactions energy: -118.087
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.241
local terms energy: -62.225304
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -157.429498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.429498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.429498 (E_RNA)
where:
Base-Base interactions energy: -93.467
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.198
local terms energy: -63.764813
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -93.083138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083138 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -35.823
Base-Backbone interact. energy: -0.686
local terms energy: -52.168715
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -1.562
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: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -97.128354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.128354 (E_RNA)
where:
Base-Base interactions energy: -43.919
where: short stacking energy: -36.807
Base-Backbone interact. energy: -0.117
local terms energy: -53.092432
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -5.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -122.440096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.440096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.440096 (E_RNA)
where:
Base-Base interactions energy: -70.251
where: short stacking energy: -26.888
Base-Backbone interact. energy: -1.267
local terms energy: -50.922291
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -95.328974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.328974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.328974 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.585
local terms energy: -54.615178
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -83.225747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.225747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.225747 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.261
local terms energy: -46.535292
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -6.245
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: 62
Temperature: 1.350000
Total energy: -77.308475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.308475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.308475 (E_RNA)
where:
Base-Base interactions energy: -21.251
where: short stacking energy: -12.333
Base-Backbone interact. energy: -0.186
local terms energy: -55.871099
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -206.323946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.323946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.323946 (E_RNA)
where:
Base-Base interactions energy: -137.171
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.306
local terms energy: -68.847290
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -198.226996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.226996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.226996 (E_RNA)
where:
Base-Base interactions energy: -129.748
where: short stacking energy: -63.815
Base-Backbone interact. energy: -0.186
local terms energy: -68.293488
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -17.030
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: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -176.222284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.222284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.222284 (E_RNA)
where:
Base-Base interactions energy: -109.462
where: short stacking energy: -51.088
Base-Backbone interact. energy: -0.001
local terms energy: -66.759982
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -169.613222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.613222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.613222 (E_RNA)
where:
Base-Base interactions energy: -98.554
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.033
local terms energy: -71.026221
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -11.765
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: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -96.864032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.864032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.864032 (E_RNA)
where:
Base-Base interactions energy: -40.476
where: short stacking energy: -39.824
Base-Backbone interact. energy: 0.058
local terms energy: -56.446391
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -107.486028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.486028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.486028 (E_RNA)
where:
Base-Base interactions energy: -51.920
where: short stacking energy: -36.809
Base-Backbone interact. energy: 0.496
local terms energy: -56.061667
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -9.282
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: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -88.649491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649491 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -28.997
Base-Backbone interact. energy: -0.138
local terms energy: -59.514861
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -6.085
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: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -82.436534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436534 (E_RNA)
where:
Base-Base interactions energy: -27.609
where: short stacking energy: -27.609
Base-Backbone interact. energy: -0.202
local terms energy: -54.625932
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -77.293783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.293783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.293783 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.272
local terms energy: -47.965537
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -6.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.715720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.715720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.715720 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -25.387
Base-Backbone interact. energy: -1.494
local terms energy: -51.541839
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -204.797768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.797768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.797768 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -65.349
Base-Backbone interact. energy: -0.790
local terms energy: -65.641967
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -15.815
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: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -191.018334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.018334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.018334 (E_RNA)
where:
Base-Base interactions energy: -132.823
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.139
local terms energy: -58.055777
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -5.661
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: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -177.332480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.332480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.332480 (E_RNA)
where:
Base-Base interactions energy: -108.105
where: short stacking energy: -48.135
Base-Backbone interact. energy: -0.069
local terms energy: -69.157951
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -14.447
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: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -175.047677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047677 (E_RNA)
where:
Base-Base interactions energy: -110.968
where: short stacking energy: -48.088
Base-Backbone interact. energy: -0.001
local terms energy: -64.078428
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -100.852778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.852778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.852778 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.208
local terms energy: -59.257470
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -11.372
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: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -91.997392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.997392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.997392 (E_RNA)
where:
Base-Base interactions energy: -42.629
where: short stacking energy: -31.656
Base-Backbone interact. energy: -0.118
local terms energy: -49.250571
where:
bonds (distance) C4'-P energy: -7.407
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.661
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -80.398501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.398501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.398501 (E_RNA)
where:
Base-Base interactions energy: -31.145
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.240
local terms energy: -49.012962
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -4.306
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: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -93.637266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.637266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.637266 (E_RNA)
where:
Base-Base interactions energy: -42.090
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.227
local terms energy: -51.319692
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -1.792
tors. eta vs tors. theta energy: -10.225
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: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -74.212387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.212387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.212387 (E_RNA)
where:
Base-Base interactions energy: -25.931
where: short stacking energy: -20.699
Base-Backbone interact. energy: -0.870
local terms energy: -47.410825
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -71.019064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.019064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.019064 (E_RNA)
where:
Base-Base interactions energy: -19.462
where: short stacking energy: -18.955
Base-Backbone interact. energy: -0.052
local terms energy: -51.504923
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: 0.176
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: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -199.042367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.042367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.042367 (E_RNA)
where:
Base-Base interactions energy: -125.743
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.135
local terms energy: -73.164339
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -190.694376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.694376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.694376 (E_RNA)
where:
Base-Base interactions energy: -118.347
where: short stacking energy: -54.051
Base-Backbone interact. energy: -1.223
local terms energy: -71.124694
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -16.060
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -169.601369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.601369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.601369 (E_RNA)
where:
Base-Base interactions energy: -108.313
where: short stacking energy: -38.952
Base-Backbone interact. energy: 0.257
local terms energy: -61.545223
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -117.468070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.468070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.468070 (E_RNA)
where:
Base-Base interactions energy: -63.773
where: short stacking energy: -44.988
Base-Backbone interact. energy: -0.155
local terms energy: -53.540053
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -7.075
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: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -168.946994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.946994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.946994 (E_RNA)
where:
Base-Base interactions energy: -106.307
where: short stacking energy: -39.725
Base-Backbone interact. energy: -0.484
local terms energy: -62.156017
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -96.641631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.641631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.641631 (E_RNA)
where:
Base-Base interactions energy: -53.056
where: short stacking energy: -26.031
Base-Backbone interact. energy: -0.159
local terms energy: -43.426715
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -84.348059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.348059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.348059 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.023
local terms energy: -52.276774
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -5.082
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -83.157272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.157272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.157272 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.820
local terms energy: -49.309869
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -80.262272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.262272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.262272 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.103
local terms energy: -44.544257
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -76.451973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.451973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.451973 (E_RNA)
where:
Base-Base interactions energy: -30.857
where: short stacking energy: -24.381
Base-Backbone interact. energy: 5.665
local terms energy: -51.259946
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -2.112
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: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -199.643737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.643737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.643737 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.082
local terms energy: -72.338398
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -194.522208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.522208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.522208 (E_RNA)
where:
Base-Base interactions energy: -119.756
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.166
local terms energy: -74.600267
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -171.152216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.152216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.152216 (E_RNA)
where:
Base-Base interactions energy: -107.864
where: short stacking energy: -52.128
Base-Backbone interact. energy: -0.100
local terms energy: -63.188032
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -133.862187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.862187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.862187 (E_RNA)
where:
Base-Base interactions energy: -75.760
where: short stacking energy: -49.581
Base-Backbone interact. energy: -1.514
local terms energy: -56.588423
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -11.153
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: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -151.783893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.783893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.783893 (E_RNA)
where:
Base-Base interactions energy: -91.740
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.034
local terms energy: -60.010182
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -11.767
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: 66
Temperature: 1.150000
Total energy: -93.282154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.282154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.282154 (E_RNA)
where:
Base-Base interactions energy: -48.116
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.060
local terms energy: -45.106221
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -8.907
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: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -90.683695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683695 (E_RNA)
where:
Base-Base interactions energy: -40.236
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.053
local terms energy: -50.394942
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -10.446
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: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -83.402384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.402384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.402384 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.121
local terms energy: -50.128533
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -71.478153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.478153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.478153 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -27.627
Base-Backbone interact. energy: -0.096
local terms energy: -42.684991
where:
bonds (distance) C4'-P energy: -5.631
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -7.109
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: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -73.396037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.396037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.396037 (E_RNA)
where:
Base-Base interactions energy: -24.569
where: short stacking energy: -24.569
Base-Backbone interact. energy: -0.018
local terms energy: -48.808932
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -203.995554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.995554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995554 (E_RNA)
where:
Base-Base interactions energy: -137.389
where: short stacking energy: -69.163
Base-Backbone interact. energy: -0.011
local terms energy: -66.595737
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -174.935051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.935051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.935051 (E_RNA)
where:
Base-Base interactions energy: -106.749
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.129
local terms energy: -68.056962
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -3.736
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: 3, replica: 8
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -188.161665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.161665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.161665 (E_RNA)
where:
Base-Base interactions energy: -125.107
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.183
local terms energy: -62.871341
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -16.610
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: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -159.905726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.905726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.905726 (E_RNA)
where:
Base-Base interactions energy: -99.578
where: short stacking energy: -45.246
Base-Backbone interact. energy: -0.086
local terms energy: -60.241931
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -115.688505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.688505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.688505 (E_RNA)
where:
Base-Base interactions energy: -57.822
where: short stacking energy: -37.178
Base-Backbone interact. energy: -0.986
local terms energy: -56.881222
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -4.235
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: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -85.522835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.522835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.522835 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -28.648
Base-Backbone interact. energy: -0.330
local terms energy: -56.544687
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -97.420366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.420366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.420366 (E_RNA)
where:
Base-Base interactions energy: -49.662
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.127
local terms energy: -47.631271
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -87.248676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248676 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -25.669
Base-Backbone interact. energy: -0.212
local terms energy: -53.190598
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -3.451
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: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -82.664769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664769 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -31.567
Base-Backbone interact. energy: -0.108
local terms energy: -45.362087
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -6.161
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -69.679991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.679991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.679991 (E_RNA)
where:
Base-Base interactions energy: -27.429
where: short stacking energy: -19.464
Base-Backbone interact. energy: -0.152
local terms energy: -42.099440
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -189.948232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.948232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.948232 (E_RNA)
where:
Base-Base interactions energy: -115.264
where: short stacking energy: -62.336
Base-Backbone interact. energy: -0.100
local terms energy: -74.583919
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -200.542164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542164 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.126
local terms energy: -78.167037
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -185.889358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.889358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.889358 (E_RNA)
where:
Base-Base interactions energy: -123.421
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.882
local terms energy: -61.585873
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -5.657
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -162.437114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.437114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.437114 (E_RNA)
where:
Base-Base interactions energy: -109.837
where: short stacking energy: -48.683
Base-Backbone interact. energy: -0.162
local terms energy: -52.438285
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -11.423
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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -97.170191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.170191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.170191 (E_RNA)
where:
Base-Base interactions energy: -38.189
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.265
local terms energy: -58.715959
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -103.639085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.639085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.639085 (E_RNA)
where:
Base-Base interactions energy: -57.860
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.697
local terms energy: -45.081451
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -89.452011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452011 (E_RNA)
where:
Base-Base interactions energy: -36.710
where: short stacking energy: -31.018
Base-Backbone interact. energy: -1.190
local terms energy: -51.551621
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -11.404
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: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -81.459510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.459510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.459510 (E_RNA)
where:
Base-Base interactions energy: -28.605
where: short stacking energy: -28.228
Base-Backbone interact. energy: -0.126
local terms energy: -52.728155
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -10.639
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: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -85.544917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.544917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.544917 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.257
local terms energy: -57.905712
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -71.675819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.675819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.675819 (E_RNA)
where:
Base-Base interactions energy: -22.252
where: short stacking energy: -13.806
Base-Backbone interact. energy: -0.167
local terms energy: -49.256614
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -1.838
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: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -184.357246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.357246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.357246 (E_RNA)
where:
Base-Base interactions energy: -113.146
where: short stacking energy: -51.809
Base-Backbone interact. energy: 0.167
local terms energy: -71.378596
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -199.584901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.584901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.584901 (E_RNA)
where:
Base-Base interactions energy: -131.067
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.030
local terms energy: -68.488336
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -174.861534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.861534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.861534 (E_RNA)
where:
Base-Base interactions energy: -108.941
where: short stacking energy: -46.290
Base-Backbone interact. energy: -1.081
local terms energy: -64.839378
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -170.204573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.204573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.204573 (E_RNA)
where:
Base-Base interactions energy: -105.576
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.010
local terms energy: -64.618589
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -99.229134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.229134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.229134 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.022
local terms energy: -63.078885
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -9.207
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: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -92.522095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522095 (E_RNA)
where:
Base-Base interactions energy: -38.537
where: short stacking energy: -36.574
Base-Backbone interact. energy: 0.326
local terms energy: -54.311250
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -6.728
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: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -94.949380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.949380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.949380 (E_RNA)
where:
Base-Base interactions energy: -44.535
where: short stacking energy: -32.195
Base-Backbone interact. energy: 0.490
local terms energy: -50.904367
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -6.755
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: 69
Temperature: 1.250000
Total energy: -87.449305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449305 (E_RNA)
where:
Base-Base interactions energy: -35.885
where: short stacking energy: -25.204
Base-Backbone interact. energy: 0.810
local terms energy: -52.373844
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -9.330
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: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -87.849457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.849457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.849457 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -23.724
Base-Backbone interact. energy: -0.262
local terms energy: -56.731563
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -10.221
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: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -79.117055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.117055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.117055 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.190
local terms energy: -49.197827
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -1.368
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: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -200.835332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835332 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.538
local terms energy: -72.306269
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -179.426250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.426250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.426250 (E_RNA)
where:
Base-Base interactions energy: -109.111
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.064
local terms energy: -70.250893
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -16.479
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: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -204.482369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.482369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.482369 (E_RNA)
where:
Base-Base interactions energy: -135.626
where: short stacking energy: -63.383
Base-Backbone interact. energy: -0.470
local terms energy: -68.386693
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -171.561845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.561845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.561845 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.024
local terms energy: -60.814252
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -94.957519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957519 (E_RNA)
where:
Base-Base interactions energy: -49.499
where: short stacking energy: -32.957
Base-Backbone interact. energy: -0.163
local terms energy: -45.294692
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -8.937
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -91.174318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.174318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.174318 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -10.552
Base-Backbone interact. energy: -0.378
local terms energy: -51.057007
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -87.303569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.303569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.303569 (E_RNA)
where:
Base-Base interactions energy: -44.258
where: short stacking energy: -38.782
Base-Backbone interact. energy: -0.581
local terms energy: -42.464884
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -2.022
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -82.544854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.544854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.544854 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -31.985
Base-Backbone interact. energy: -0.130
local terms energy: -45.769430
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -2.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -72.953175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.953175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.953175 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.087
local terms energy: -38.987693
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -65.743707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.743707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.743707 (E_RNA)
where:
Base-Base interactions energy: -16.182
where: short stacking energy: -14.774
Base-Backbone interact. energy: -0.082
local terms energy: -49.480323
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -209.149578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149578 (E_RNA)
where:
Base-Base interactions energy: -138.709
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.008
local terms energy: -70.432197
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -9.393
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: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -207.027329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.027329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.027329 (E_RNA)
where:
Base-Base interactions energy: -135.642
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.401
local terms energy: -70.984026
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -10.127
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: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -174.049696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.049696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.049696 (E_RNA)
where:
Base-Base interactions energy: -101.963
where: short stacking energy: -46.549
Base-Backbone interact. energy: -0.004
local terms energy: -72.082132
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.599
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -150.142460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.142460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.142460 (E_RNA)
where:
Base-Base interactions energy: -89.346
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.103
local terms energy: -60.693936
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -10.487
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -112.435248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.435248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.435248 (E_RNA)
where:
Base-Base interactions energy: -57.522
where: short stacking energy: -33.162
Base-Backbone interact. energy: -0.154
local terms energy: -54.759814
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -102.218917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.218917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.218917 (E_RNA)
where:
Base-Base interactions energy: -51.545
where: short stacking energy: -39.981
Base-Backbone interact. energy: -0.128
local terms energy: -50.545559
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -81.182843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.182843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.182843 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -23.177
Base-Backbone interact. energy: -1.281
local terms energy: -49.453491
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -1.371
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: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -81.046432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.046432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.046432 (E_RNA)
where:
Base-Base interactions energy: -27.700
where: short stacking energy: -21.913
Base-Backbone interact. energy: -0.236
local terms energy: -53.110764
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.495
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: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -72.542398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.542398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.542398 (E_RNA)
where:
Base-Base interactions energy: -29.161
where: short stacking energy: -21.548
Base-Backbone interact. energy: -0.413
local terms energy: -42.967888
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 2.531
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: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -71.461037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.461037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.461037 (E_RNA)
where:
Base-Base interactions energy: -18.468
where: short stacking energy: -18.278
Base-Backbone interact. energy: -0.056
local terms energy: -52.937481
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -212.939283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.939283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.939283 (E_RNA)
where:
Base-Base interactions energy: -139.248
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.217
local terms energy: -73.473717
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -204.638284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.638284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.638284 (E_RNA)
where:
Base-Base interactions energy: -137.034
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.645
local terms energy: -66.959698
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.133
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: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -172.265114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.265114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.265114 (E_RNA)
where:
Base-Base interactions energy: -116.109
where: short stacking energy: -52.595
Base-Backbone interact. energy: -0.320
local terms energy: -55.835938
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -8.298
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.124
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: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -161.115559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.115559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.115559 (E_RNA)
where:
Base-Base interactions energy: -100.439
where: short stacking energy: -45.081
Base-Backbone interact. energy: -0.070
local terms energy: -60.606222
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -14.623
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: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -122.832504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.832504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.832504 (E_RNA)
where:
Base-Base interactions energy: -66.681
where: short stacking energy: -45.265
Base-Backbone interact. energy: -0.330
local terms energy: -55.822333
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -122.952950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.952950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.952950 (E_RNA)
where:
Base-Base interactions energy: -63.301
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.216
local terms energy: -59.436799
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -92.926379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.926379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.926379 (E_RNA)
where:
Base-Base interactions energy: -36.042
where: short stacking energy: -24.666
Base-Backbone interact. energy: -0.092
local terms energy: -56.792710
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -82.907038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.907038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.907038 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -13.923
Base-Backbone interact. energy: -0.353
local terms energy: -49.015395
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -68.068625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.068625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.068625 (E_RNA)
where:
Base-Base interactions energy: -26.887
where: short stacking energy: -20.392
Base-Backbone interact. energy: -0.072
local terms energy: -41.109592
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -6.678
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: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -80.329744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329744 (E_RNA)
where:
Base-Base interactions energy: -25.875
where: short stacking energy: -25.875
Base-Backbone interact. energy: 0.161
local terms energy: -54.615750
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -207.523613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.523613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.523613 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.001
local terms energy: -73.530862
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -180.627700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.627700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.627700 (E_RNA)
where:
Base-Base interactions energy: -112.504
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.830
local terms energy: -67.293711
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.221
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: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -194.240625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.240625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.240625 (E_RNA)
where:
Base-Base interactions energy: -126.760
where: short stacking energy: -63.395
Base-Backbone interact. energy: 0.734
local terms energy: -68.214806
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -164.809441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.809441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.809441 (E_RNA)
where:
Base-Base interactions energy: -104.105
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.097
local terms energy: -60.607682
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -12.183
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: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -114.660056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.660056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.660056 (E_RNA)
where:
Base-Base interactions energy: -58.170
where: short stacking energy: -36.491
Base-Backbone interact. energy: -0.219
local terms energy: -56.270650
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -7.463
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: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -85.513929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.513929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.513929 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.023
local terms energy: -54.353406
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -9.263
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: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -78.716874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.716874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.716874 (E_RNA)
where:
Base-Base interactions energy: -34.544
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.229
local terms energy: -43.943623
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -77.854556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.854556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.854556 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -24.301
Base-Backbone interact. energy: -0.193
local terms energy: -48.506552
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -73.914889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.914889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.914889 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -25.673
Base-Backbone interact. energy: 0.132
local terms energy: -44.769359
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -3.159
tors. eta vs tors. theta energy: -3.094
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: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -71.513652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.513652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.513652 (E_RNA)
where:
Base-Base interactions energy: -22.746
where: short stacking energy: -12.785
Base-Backbone interact. energy: -0.339
local terms energy: -48.428440
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: 0.317
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: 74
Temperature: 0.900000
Total energy: -195.003953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.003953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.003953 (E_RNA)
where:
Base-Base interactions energy: -119.468
where: short stacking energy: -54.968
Base-Backbone interact. energy: -1.478
local terms energy: -74.057228
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -11.918
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: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -209.594059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.594059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.594059 (E_RNA)
where:
Base-Base interactions energy: -135.624
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.062
local terms energy: -73.907845
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -201.012610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.012610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.012610 (E_RNA)
where:
Base-Base interactions energy: -127.485
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.926
local terms energy: -72.600827
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.114
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -149.765619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.765619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.765619 (E_RNA)
where:
Base-Base interactions energy: -91.294
where: short stacking energy: -35.614
Base-Backbone interact. energy: -0.503
local terms energy: -57.967824
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -98.007231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.007231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.007231 (E_RNA)
where:
Base-Base interactions energy: -41.229
where: short stacking energy: -28.469
Base-Backbone interact. energy: -0.070
local terms energy: -56.707714
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -86.710419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.710419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.710419 (E_RNA)
where:
Base-Base interactions energy: -35.880
where: short stacking energy: -16.999
Base-Backbone interact. energy: -0.578
local terms energy: -50.253088
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: 2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -84.698696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.698696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.698696 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -28.098
Base-Backbone interact. energy: -0.161
local terms energy: -48.013524
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -4.693
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: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -91.428990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.428990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.428990 (E_RNA)
where:
Base-Base interactions energy: -41.663
where: short stacking energy: -30.268
Base-Backbone interact. energy: 0.257
local terms energy: -50.022193
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -78.982441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.982441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.982441 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.779
local terms energy: -38.998014
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -5.747
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -78.390547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.390547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.390547 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -28.666
Base-Backbone interact. energy: -0.487
local terms energy: -46.998509
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -195.462081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.462081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.462081 (E_RNA)
where:
Base-Base interactions energy: -123.946
where: short stacking energy: -49.989
Base-Backbone interact. energy: -1.660
local terms energy: -69.856211
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -208.681845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.681845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.681845 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.005
local terms energy: -74.584489
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -196.952353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.952353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.952353 (E_RNA)
where:
Base-Base interactions energy: -128.736
where: short stacking energy: -62.394
Base-Backbone interact. energy: -0.126
local terms energy: -68.089623
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -98.466154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.466154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.466154 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -37.116
Base-Backbone interact. energy: -0.104
local terms energy: -59.335871
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -149.280547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.280547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.280547 (E_RNA)
where:
Base-Base interactions energy: -92.053
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.325
local terms energy: -56.901815
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -8.407
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: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -101.669042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.669042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.669042 (E_RNA)
where:
Base-Base interactions energy: -40.726
where: short stacking energy: -40.726
Base-Backbone interact. energy: -0.002
local terms energy: -60.941056
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -94.662886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.662886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.662886 (E_RNA)
where:
Base-Base interactions energy: -44.197
where: short stacking energy: -23.190
Base-Backbone interact. energy: -0.104
local terms energy: -50.362526
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -102.966512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.966512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.966512 (E_RNA)
where:
Base-Base interactions energy: -58.045
where: short stacking energy: -27.653
Base-Backbone interact. energy: -0.618
local terms energy: -44.303926
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: 0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -72.796971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.796971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.796971 (E_RNA)
where:
Base-Base interactions energy: -19.554
where: short stacking energy: -17.283
Base-Backbone interact. energy: -0.196
local terms energy: -53.047413
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -71.191863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.191863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.191863 (E_RNA)
where:
Base-Base interactions energy: -27.781
where: short stacking energy: -15.919
Base-Backbone interact. energy: -0.101
local terms energy: -43.310368
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.195
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: 76
Temperature: 0.900000
Total energy: -196.766244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.766244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.766244 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.368
local terms energy: -68.476874
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -185.167768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.167768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.167768 (E_RNA)
where:
Base-Base interactions energy: -117.705
where: short stacking energy: -54.584
Base-Backbone interact. energy: 0.401
local terms energy: -67.863307
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -6.622
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: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -203.824971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.824971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.824971 (E_RNA)
where:
Base-Base interactions energy: -132.350
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.088
local terms energy: -71.386244
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -110.107582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.107582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.107582 (E_RNA)
where:
Base-Base interactions energy: -52.891
where: short stacking energy: -41.037
Base-Backbone interact. energy: -0.403
local terms energy: -56.813527
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -166.617187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.617187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.617187 (E_RNA)
where:
Base-Base interactions energy: -105.124
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.102
local terms energy: -61.391919
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -95.021941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.021941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.021941 (E_RNA)
where:
Base-Base interactions energy: -36.275
where: short stacking energy: -36.275
Base-Backbone interact. energy: -0.059
local terms energy: -58.688130
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -9.567
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: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -85.830186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.830186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.830186 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -27.362
Base-Backbone interact. energy: -0.159
local terms energy: -46.498921
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -79.259117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.259117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.259117 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -12.396
Base-Backbone interact. energy: -0.146
local terms energy: -51.655616
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -0.037
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: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -88.589462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.589462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.589462 (E_RNA)
where:
Base-Base interactions energy: -40.418
where: short stacking energy: -33.305
Base-Backbone interact. energy: -0.849
local terms energy: -47.323118
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -1.895
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: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -76.790606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.790606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.790606 (E_RNA)
where:
Base-Base interactions energy: -29.633
where: short stacking energy: -25.429
Base-Backbone interact. energy: -1.037
local terms energy: -46.120330
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -214.080308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.080308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.080308 (E_RNA)
where:
Base-Base interactions energy: -139.225
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.000
local terms energy: -74.855107
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -211.704030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.704030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.704030 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.218
local terms energy: -69.130090
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -20.236
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: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -180.482242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.482242 (E_RNA)
where:
Base-Base interactions energy: -108.635
where: short stacking energy: -53.112
Base-Backbone interact. energy: -0.692
local terms energy: -71.155121
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -161.425631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.425631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.425631 (E_RNA)
where:
Base-Base interactions energy: -104.590
where: short stacking energy: -48.155
Base-Backbone interact. energy: -0.197
local terms energy: -56.638634
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -108.926134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.926134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.926134 (E_RNA)
where:
Base-Base interactions energy: -59.324
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.282
local terms energy: -49.320308
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -99.035129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.035129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.035129 (E_RNA)
where:
Base-Base interactions energy: -50.004
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.018
local terms energy: -49.013554
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -4.205
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: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -98.410612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.410612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.410612 (E_RNA)
where:
Base-Base interactions energy: -46.541
where: short stacking energy: -29.815
Base-Backbone interact. energy: 0.380
local terms energy: -52.249496
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -2.073
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -78.145577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.145577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.145577 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.755
local terms energy: -48.493312
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: 0.304
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: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -69.818155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.818155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.818155 (E_RNA)
where:
Base-Base interactions energy: -18.143
where: short stacking energy: -18.143
Base-Backbone interact. energy: -0.110
local terms energy: -51.565526
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -0.998
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: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -67.996249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.996249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.996249 (E_RNA)
where:
Base-Base interactions energy: -20.227
where: short stacking energy: -20.227
Base-Backbone interact. energy: -0.110
local terms energy: -47.659134
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.356
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -205.928173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.928173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.928173 (E_RNA)
where:
Base-Base interactions energy: -132.238
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.283
local terms energy: -73.407972
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -200.889943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.889943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.889943 (E_RNA)
where:
Base-Base interactions energy: -134.935
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.000
local terms energy: -65.954765
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -171.035902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.035902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.035902 (E_RNA)
where:
Base-Base interactions energy: -107.533
where: short stacking energy: -40.462
Base-Backbone interact. energy: 0.608
local terms energy: -64.110134
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.126
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -184.784519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.784519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.784519 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -49.009
Base-Backbone interact. energy: -0.300
local terms energy: -62.143532
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -10.391
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: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -111.058768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.058768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.058768 (E_RNA)
where:
Base-Base interactions energy: -63.304
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.767
local terms energy: -46.987687
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -8.362
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: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -102.844408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.844408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.844408 (E_RNA)
where:
Base-Base interactions energy: -43.971
where: short stacking energy: -34.371
Base-Backbone interact. energy: -0.015
local terms energy: -58.858081
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -83.865758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.865758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.865758 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -25.543
Base-Backbone interact. energy: -0.120
local terms energy: -56.089045
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.776
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: 2
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -73.882644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.882644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.882644 (E_RNA)
where:
Base-Base interactions energy: -20.001
where: short stacking energy: -19.077
Base-Backbone interact. energy: -0.129
local terms energy: -53.752914
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -76.978990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.978990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.978990 (E_RNA)
where:
Base-Base interactions energy: -28.661
where: short stacking energy: -27.935
Base-Backbone interact. energy: -0.706
local terms energy: -47.611257
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -69.102543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.102543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.102543 (E_RNA)
where:
Base-Base interactions energy: -28.931
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.109
local terms energy: -40.062731
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -2.339
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: 79
Temperature: 0.900000
Total energy: -204.477535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477535 (E_RNA)
where:
Base-Base interactions energy: -130.637
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.009
local terms energy: -73.831616
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -204.526215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.526215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.526215 (E_RNA)
where:
Base-Base interactions energy: -129.407
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.514
local terms energy: -74.605558
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.325
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: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -179.545215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.545215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.545215 (E_RNA)
where:
Base-Base interactions energy: -104.953
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.674
local terms energy: -73.918158
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -187.676853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676853 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.754
local terms energy: -63.846007
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -120.068805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.068805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.068805 (E_RNA)
where:
Base-Base interactions energy: -68.724
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.171
local terms energy: -51.174645
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -100.089347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.089347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.089347 (E_RNA)
where:
Base-Base interactions energy: -41.640
where: short stacking energy: -40.091
Base-Backbone interact. energy: -0.003
local terms energy: -58.445482
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -90.292974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.292974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.292974 (E_RNA)
where:
Base-Base interactions energy: -28.206
where: short stacking energy: -28.081
Base-Backbone interact. energy: 0.150
local terms energy: -62.236295
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -82.364613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.364613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.364613 (E_RNA)
where:
Base-Base interactions energy: -27.639
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.028
local terms energy: -54.697531
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -3.252
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: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -82.605669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.605669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.605669 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -28.306
Base-Backbone interact. energy: -0.046
local terms energy: -49.040017
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -6.865
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: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.328374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.328374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.328374 (E_RNA)
where:
Base-Base interactions energy: -37.361
where: short stacking energy: -23.201
Base-Backbone interact. energy: -1.282
local terms energy: -37.685383
where:
bonds (distance) C4'-P energy: -8.722
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -1.778
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -212.203673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.203673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.203673 (E_RNA)
where:
Base-Base interactions energy: -137.131
where: short stacking energy: -58.261
Base-Backbone interact. energy: -0.191
local terms energy: -74.882555
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -202.266787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.266787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.266787 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.076
local terms energy: -68.712285
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -10.390
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: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -179.347739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.347739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.347739 (E_RNA)
where:
Base-Base interactions energy: -113.148
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.216
local terms energy: -65.983395
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -163.780599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.780599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.780599 (E_RNA)
where:
Base-Base interactions energy: -97.864
where: short stacking energy: -45.685
Base-Backbone interact. energy: -0.015
local terms energy: -65.901443
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -111.992217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.992217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.992217 (E_RNA)
where:
Base-Base interactions energy: -41.786
where: short stacking energy: -38.878
Base-Backbone interact. energy: -0.000
local terms energy: -70.206066
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -96.431303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.431303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.431303 (E_RNA)
where:
Base-Base interactions energy: -46.844
where: short stacking energy: -16.828
Base-Backbone interact. energy: -0.108
local terms energy: -49.479157
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -8.715
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -89.128108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128108 (E_RNA)
where:
Base-Base interactions energy: -38.380
where: short stacking energy: -25.987
Base-Backbone interact. energy: -0.352
local terms energy: -50.395854
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -0.765
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: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -108.659752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.659752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.659752 (E_RNA)
where:
Base-Base interactions energy: -58.226
where: short stacking energy: -26.407
Base-Backbone interact. energy: 0.632
local terms energy: -51.065542
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -91.457531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.457531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.457531 (E_RNA)
where:
Base-Base interactions energy: -44.086
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.074
local terms energy: -47.297811
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.435306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.435306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.435306 (E_RNA)
where:
Base-Base interactions energy: -31.227
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.082
local terms energy: -47.126493
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -200.260028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.260028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.260028 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.782
local terms energy: -75.628791
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -198.647250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.647250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647250 (E_RNA)
where:
Base-Base interactions energy: -134.738
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.420
local terms energy: -63.489529
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -174.481385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.481385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.481385 (E_RNA)
where:
Base-Base interactions energy: -110.662
where: short stacking energy: -55.505
Base-Backbone interact. energy: 1.135
local terms energy: -64.953555
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -13.193
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: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -99.074622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.074622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.074622 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -37.159
Base-Backbone interact. energy: -0.217
local terms energy: -58.292784
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -7.349
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: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -162.633791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.633791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.633791 (E_RNA)
where:
Base-Base interactions energy: -105.947
where: short stacking energy: -45.788
Base-Backbone interact. energy: -0.149
local terms energy: -56.538256
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -82.922658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.922658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.922658 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -23.718
Base-Backbone interact. energy: -0.902
local terms energy: -54.585983
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -2.653
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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -79.855166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.855166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.855166 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.951
local terms energy: -47.161013
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -108.006929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.006929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.006929 (E_RNA)
where:
Base-Base interactions energy: -61.457
where: short stacking energy: -29.544
Base-Backbone interact. energy: 0.300
local terms energy: -46.849412
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -3.722
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: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -68.057910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.057910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.057910 (E_RNA)
where:
Base-Base interactions energy: -20.372
where: short stacking energy: -16.003
Base-Backbone interact. energy: -0.082
local terms energy: -47.604269
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -3.733
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: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -69.445924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.445924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.445924 (E_RNA)
where:
Base-Base interactions energy: -20.340
where: short stacking energy: -20.340
Base-Backbone interact. energy: -0.015
local terms energy: -49.091045
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -4.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -198.622852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.622852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622852 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.507
local terms energy: -66.853974
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -180.863470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.863470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.863470 (E_RNA)
where:
Base-Base interactions energy: -111.523
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.181
local terms energy: -69.160176
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -15.758
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: 82
Temperature: 1.000000
Total energy: -166.114536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.114536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.114536 (E_RNA)
where:
Base-Base interactions energy: -97.170
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.145
local terms energy: -68.799411
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -134.682876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.682876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.682876 (E_RNA)
where:
Base-Base interactions energy: -71.891
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.003
local terms energy: -62.789212
where:
bonds (distance) C4'-P energy: -6.855
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -18.154
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: 82
Temperature: 1.100000
Total energy: -169.490444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.490444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.490444 (E_RNA)
where:
Base-Base interactions energy: -102.920
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.049
local terms energy: -66.520996
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.945
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: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -86.814589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.814589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.814589 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -33.734
Base-Backbone interact. energy: -0.502
local terms energy: -48.645184
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -94.538703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.538703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.538703 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.132
local terms energy: -50.053622
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -94.248573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.248573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.248573 (E_RNA)
where:
Base-Base interactions energy: -54.397
where: short stacking energy: -27.334
Base-Backbone interact. energy: 0.280
local terms energy: -40.132400
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -7.103
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -3.035
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: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -85.972553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.972553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.972553 (E_RNA)
where:
Base-Base interactions energy: -39.566
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.489
local terms energy: -45.918190
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -75.279447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.279447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.279447 (E_RNA)
where:
Base-Base interactions energy: -27.643
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.110
local terms energy: -47.525787
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -0.598
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: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -206.184069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.184069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184069 (E_RNA)
where:
Base-Base interactions energy: -134.674
where: short stacking energy: -66.259
Base-Backbone interact. energy: 0.197
local terms energy: -71.707655
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -187.896010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.896010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.896010 (E_RNA)
where:
Base-Base interactions energy: -122.168
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.352
local terms energy: -65.376007
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -167.244508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.244508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.244508 (E_RNA)
where:
Base-Base interactions energy: -105.517
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.008
local terms energy: -61.719523
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -11.798
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: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -175.894853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.894853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.894853 (E_RNA)
where:
Base-Base interactions energy: -109.197
where: short stacking energy: -48.966
Base-Backbone interact. energy: -0.356
local terms energy: -66.342366
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.590
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: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -114.413572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.413572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.413572 (E_RNA)
where:
Base-Base interactions energy: -56.914
where: short stacking energy: -47.618
Base-Backbone interact. energy: -0.000
local terms energy: -57.499516
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -11.478
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: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -81.181037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.181037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.181037 (E_RNA)
where:
Base-Base interactions energy: -26.075
where: short stacking energy: -25.866
Base-Backbone interact. energy: -1.018
local terms energy: -54.088193
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -99.013462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.013462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.013462 (E_RNA)
where:
Base-Base interactions energy: -53.802
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.058
local terms energy: -45.153319
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -85.997581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997581 (E_RNA)
where:
Base-Base interactions energy: -35.103
where: short stacking energy: -28.465
Base-Backbone interact. energy: -0.207
local terms energy: -50.688177
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -71.698605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.698605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.698605 (E_RNA)
where:
Base-Base interactions energy: -24.850
where: short stacking energy: -18.131
Base-Backbone interact. energy: -0.485
local terms energy: -46.363052
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -4.030
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: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -76.235829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.235829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.235829 (E_RNA)
where:
Base-Base interactions energy: -25.731
where: short stacking energy: -25.731
Base-Backbone interact. energy: -0.063
local terms energy: -50.441985
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -207.190232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.190232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190232 (E_RNA)
where:
Base-Base interactions energy: -134.463
where: short stacking energy: -63.128
Base-Backbone interact. energy: 2.198
local terms energy: -74.924719
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -9.209
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: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -189.014431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.014431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.014431 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.453
local terms energy: -67.305066
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -14.114
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: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -173.718668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.718668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.718668 (E_RNA)
where:
Base-Base interactions energy: -112.106
where: short stacking energy: -50.046
Base-Backbone interact. energy: -0.233
local terms energy: -61.379771
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -155.990273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.990273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.990273 (E_RNA)
where:
Base-Base interactions energy: -102.728
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.980
local terms energy: -52.282174
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -112.938615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.938615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.938615 (E_RNA)
where:
Base-Base interactions energy: -59.788
where: short stacking energy: -34.555
Base-Backbone interact. energy: 0.332
local terms energy: -53.481859
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -5.481
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: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -83.394883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.394883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.394883 (E_RNA)
where:
Base-Base interactions energy: -37.775
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.375
local terms energy: -45.245020
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -82.697939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.697939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.697939 (E_RNA)
where:
Base-Base interactions energy: -31.247
where: short stacking energy: -25.844
Base-Backbone interact. energy: -1.006
local terms energy: -50.445266
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -6.703
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -4.121
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: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -81.751893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.751893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.751893 (E_RNA)
where:
Base-Base interactions energy: -27.719
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.822
local terms energy: -53.210825
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -6.754
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: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -78.941642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.941642 (E_RNA)
where:
Base-Base interactions energy: -28.706
where: short stacking energy: -21.079
Base-Backbone interact. energy: -0.374
local terms energy: -49.861762
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -5.553
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -5.130
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: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -70.598401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.598401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.598401 (E_RNA)
where:
Base-Base interactions energy: -25.125
where: short stacking energy: -15.177
Base-Backbone interact. energy: 1.078
local terms energy: -46.551563
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -8.334
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: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -208.639496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.639496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.639496 (E_RNA)
where:
Base-Base interactions energy: -137.363
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.329
local terms energy: -70.947322
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -188.569560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.569560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.569560 (E_RNA)
where:
Base-Base interactions energy: -116.502
where: short stacking energy: -52.384
Base-Backbone interact. energy: 0.717
local terms energy: -72.784505
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -187.400800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.400800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.400800 (E_RNA)
where:
Base-Base interactions energy: -116.531
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.115
local terms energy: -70.754367
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.319
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: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -179.530928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.530928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.530928 (E_RNA)
where:
Base-Base interactions energy: -114.250
where: short stacking energy: -59.201
Base-Backbone interact. energy: 1.857
local terms energy: -67.138893
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -129.424630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.424630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.424630 (E_RNA)
where:
Base-Base interactions energy: -74.860
where: short stacking energy: -45.963
Base-Backbone interact. energy: 1.106
local terms energy: -55.669897
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -92.393870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.393870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.393870 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -18.635
Base-Backbone interact. energy: -0.236
local terms energy: -52.182027
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -91.530631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.530631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.530631 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.086
local terms energy: -43.278038
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -6.945
flat angles P-C4'-P energy: -1.942
tors. eta vs tors. theta energy: -7.928
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: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -87.765543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.765543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.765543 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -31.570
Base-Backbone interact. energy: -0.104
local terms energy: -56.091903
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -11.379
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: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -91.005671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.005671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.005671 (E_RNA)
where:
Base-Base interactions energy: -42.551
where: short stacking energy: -23.962
Base-Backbone interact. energy: -0.822
local terms energy: -47.633000
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -3.171
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -75.491353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.491353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.491353 (E_RNA)
where:
Base-Base interactions energy: -32.864
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.178
local terms energy: -42.449104
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -2.403
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: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -193.084957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.084957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.084957 (E_RNA)
where:
Base-Base interactions energy: -123.656
where: short stacking energy: -58.887
Base-Backbone interact. energy: -0.115
local terms energy: -69.313439
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -14.818
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: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -175.169934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.169934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.169934 (E_RNA)
where:
Base-Base interactions energy: -107.052
where: short stacking energy: -57.208
Base-Backbone interact. energy: 0.566
local terms energy: -68.683804
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -177.883081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.883081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.883081 (E_RNA)
where:
Base-Base interactions energy: -113.591
where: short stacking energy: -49.214
Base-Backbone interact. energy: -0.011
local terms energy: -64.281073
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.282
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -180.777126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.777126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.777126 (E_RNA)
where:
Base-Base interactions energy: -111.147
where: short stacking energy: -49.163
Base-Backbone interact. energy: 0.481
local terms energy: -70.110831
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.892
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -109.105423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.105423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.105423 (E_RNA)
where:
Base-Base interactions energy: -60.179
where: short stacking energy: -37.504
Base-Backbone interact. energy: -0.419
local terms energy: -48.507282
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -9.151
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: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -115.498820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.498820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.498820 (E_RNA)
where:
Base-Base interactions energy: -61.672
where: short stacking energy: -34.569
Base-Backbone interact. energy: 1.349
local terms energy: -55.175638
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -85.959090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959090 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.024
local terms energy: -51.923543
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -77.952857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.952857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.952857 (E_RNA)
where:
Base-Base interactions energy: -17.690
where: short stacking energy: -17.307
Base-Backbone interact. energy: -0.342
local terms energy: -59.921755
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -11.362
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: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -76.536907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.536907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.536907 (E_RNA)
where:
Base-Base interactions energy: -30.997
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.209
local terms energy: -45.331221
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -66.869688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.869688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.869688 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -27.096
Base-Backbone interact. energy: 1.695
local terms energy: -38.853890
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -201.579643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.579643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.579643 (E_RNA)
where:
Base-Base interactions energy: -125.796
where: short stacking energy: -59.864
Base-Backbone interact. energy: 0.132
local terms energy: -75.915594
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -179.070647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.070647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.070647 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -45.457
Base-Backbone interact. energy: -0.268
local terms energy: -59.219668
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -171.895382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.895382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.895382 (E_RNA)
where:
Base-Base interactions energy: -101.923
where: short stacking energy: -50.205
Base-Backbone interact. energy: 0.034
local terms energy: -70.006072
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -178.051614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.051614 (E_RNA)
where:
Base-Base interactions energy: -110.897
where: short stacking energy: -49.539
Base-Backbone interact. energy: -0.240
local terms energy: -66.915181
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -108.979921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.979921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.979921 (E_RNA)
where:
Base-Base interactions energy: -54.994
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.122
local terms energy: -53.863217
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -106.166082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.166082 (E_RNA)
where:
Base-Base interactions energy: -48.170
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.142
local terms energy: -57.854374
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -5.759
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: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -84.610733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.610733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.610733 (E_RNA)
where:
Base-Base interactions energy: -27.874
where: short stacking energy: -26.211
Base-Backbone interact. energy: 0.854
local terms energy: -57.591074
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -103.432284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.432284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.432284 (E_RNA)
where:
Base-Base interactions energy: -57.217
where: short stacking energy: -31.146
Base-Backbone interact. energy: -0.082
local terms energy: -46.133366
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -4.955
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: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -78.520234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.520234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.520234 (E_RNA)
where:
Base-Base interactions energy: -27.303
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.140
local terms energy: -51.076929
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -91.570652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570652 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.832
local terms energy: -57.100865
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -10.055
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: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -202.510577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.510577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.510577 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.007
local terms energy: -70.686918
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -203.791203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.791203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.791203 (E_RNA)
where:
Base-Base interactions energy: -134.767
where: short stacking energy: -64.637
Base-Backbone interact. energy: -0.544
local terms energy: -68.479958
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -7.915
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -190.190004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.190004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.190004 (E_RNA)
where:
Base-Base interactions energy: -125.193
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.005
local terms energy: -64.991783
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -18.395
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: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -154.798033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.798033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.798033 (E_RNA)
where:
Base-Base interactions energy: -93.088
where: short stacking energy: -37.938
Base-Backbone interact. energy: -0.737
local terms energy: -60.973377
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -131.011776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.011776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.011776 (E_RNA)
where:
Base-Base interactions energy: -75.090
where: short stacking energy: -39.510
Base-Backbone interact. energy: -0.105
local terms energy: -55.817085
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -4.829
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: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -100.382497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.382497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.382497 (E_RNA)
where:
Base-Base interactions energy: -44.439
where: short stacking energy: -30.223
Base-Backbone interact. energy: -0.044
local terms energy: -55.899248
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -109.991161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.991161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.991161 (E_RNA)
where:
Base-Base interactions energy: -56.584
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.190
local terms energy: -53.217847
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -82.696672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.696672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.696672 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -27.784
Base-Backbone interact. energy: -0.123
local terms energy: -48.369912
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -81.649711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.649711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.649711 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.175
local terms energy: -46.367295
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -0.998
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -70.098996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.098996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.098996 (E_RNA)
where:
Base-Base interactions energy: -26.206
where: short stacking energy: -13.716
Base-Backbone interact. energy: -0.174
local terms energy: -43.718789
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -1.045
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: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -192.858776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.858776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.858776 (E_RNA)
where:
Base-Base interactions energy: -122.106
where: short stacking energy: -59.671
Base-Backbone interact. energy: -0.008
local terms energy: -70.744303
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -208.679261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.679261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.679261 (E_RNA)
where:
Base-Base interactions energy: -134.171
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.621
local terms energy: -73.886604
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -203.376090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.376090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.376090 (E_RNA)
where:
Base-Base interactions energy: -137.683
where: short stacking energy: -62.737
Base-Backbone interact. energy: -0.332
local terms energy: -65.361790
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -0.017
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -165.583850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.583850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.583850 (E_RNA)
where:
Base-Base interactions energy: -105.444
where: short stacking energy: -43.014
Base-Backbone interact. energy: -0.183
local terms energy: -59.956304
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -7.380
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: 89
Temperature: 1.100000
Total energy: -170.422043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.422043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.422043 (E_RNA)
where:
Base-Base interactions energy: -101.843
where: short stacking energy: -42.894
Base-Backbone interact. energy: -0.147
local terms energy: -68.432404
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -11.451
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: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -87.399857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399857 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -33.337
Base-Backbone interact. energy: -0.218
local terms energy: -53.845122
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -7.769
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: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -84.935797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.935797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.935797 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -16.229
Base-Backbone interact. energy: -0.207
local terms energy: -48.790811
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -4.910
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: 89
Temperature: 1.250000
Total energy: -92.837972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.837972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.837972 (E_RNA)
where:
Base-Base interactions energy: -36.186
where: short stacking energy: -31.834
Base-Backbone interact. energy: 0.998
local terms energy: -57.649605
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.527
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: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -70.633617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.633617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.633617 (E_RNA)
where:
Base-Base interactions energy: -25.568
where: short stacking energy: -22.924
Base-Backbone interact. energy: -0.210
local terms energy: -44.855182
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -81.727905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727905 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.206
local terms energy: -47.014258
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -202.240905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.240905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.240905 (E_RNA)
where:
Base-Base interactions energy: -133.359
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.413
local terms energy: -68.469263
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -176.402946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.402946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.402946 (E_RNA)
where:
Base-Base interactions energy: -109.148
where: short stacking energy: -44.842
Base-Backbone interact. energy: 0.383
local terms energy: -67.638839
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -165.532005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.532005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.532005 (E_RNA)
where:
Base-Base interactions energy: -113.393
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.244
local terms energy: -51.894106
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -7.040
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: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -180.738332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.738332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.738332 (E_RNA)
where:
Base-Base interactions energy: -125.279
where: short stacking energy: -47.019
Base-Backbone interact. energy: -0.196
local terms energy: -55.263280
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -11.679
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: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -153.799730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.799730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.799730 (E_RNA)
where:
Base-Base interactions energy: -92.795
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.054
local terms energy: -60.950289
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -134.347237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.347237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.347237 (E_RNA)
where:
Base-Base interactions energy: -80.740
where: short stacking energy: -41.038
Base-Backbone interact. energy: 0.176
local terms energy: -53.783122
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -4.852
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: 90
Temperature: 1.200000
Total energy: -92.109030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.109030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.109030 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -32.510
Base-Backbone interact. energy: -0.115
local terms energy: -59.484615
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -77.606623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.606623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.606623 (E_RNA)
where:
Base-Base interactions energy: -30.261
where: short stacking energy: -25.668
Base-Backbone interact. energy: -0.160
local terms energy: -47.185817
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -86.096517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.096517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.096517 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -33.571
Base-Backbone interact. energy: -0.156
local terms energy: -49.784202
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -3.010
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: 90
Temperature: 1.350000
Total energy: -81.757333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.757333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.757333 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -30.238
Base-Backbone interact. energy: 1.095
local terms energy: -54.414244
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -1.284
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: 91
Temperature: 0.900000
Total energy: -199.698648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.698648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.698648 (E_RNA)
where:
Base-Base interactions energy: -126.080
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.290
local terms energy: -73.328291
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -190.109996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.109996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.109996 (E_RNA)
where:
Base-Base interactions energy: -125.338
where: short stacking energy: -50.340
Base-Backbone interact. energy: -0.006
local terms energy: -64.765308
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -2.428
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -143.188967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.188967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.188967 (E_RNA)
where:
Base-Base interactions energy: -85.908
where: short stacking energy: -39.134
Base-Backbone interact. energy: -0.058
local terms energy: -57.223355
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -4.439
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: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -167.549752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.549752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.549752 (E_RNA)
where:
Base-Base interactions energy: -102.171
where: short stacking energy: -52.238
Base-Backbone interact. energy: -0.192
local terms energy: -65.186298
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -153.331346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.331346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.331346 (E_RNA)
where:
Base-Base interactions energy: -89.712
where: short stacking energy: -39.923
Base-Backbone interact. energy: -0.115
local terms energy: -63.504721
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -149.917471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.917471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.917471 (E_RNA)
where:
Base-Base interactions energy: -97.322
where: short stacking energy: -46.283
Base-Backbone interact. energy: -0.034
local terms energy: -52.561409
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -7.902
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -100.215662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.215662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.215662 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -23.715
Base-Backbone interact. energy: -0.221
local terms energy: -53.252476
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -6.595
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: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -88.485273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485273 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.749
local terms energy: -55.624857
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -13.059
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: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -79.895517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.895517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.895517 (E_RNA)
where:
Base-Base interactions energy: -26.590
where: short stacking energy: -23.359
Base-Backbone interact. energy: 0.329
local terms energy: -53.633816
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -70.814857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.814857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.814857 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -29.737
Base-Backbone interact. energy: 1.145
local terms energy: -42.142637
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -5.492
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: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -203.016255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.016255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.016255 (E_RNA)
where:
Base-Base interactions energy: -131.368
where: short stacking energy: -66.527
Base-Backbone interact. energy: -1.395
local terms energy: -70.253390
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -212.183417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.183417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.183417 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.191
local terms energy: -69.049388
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -187.651643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.651643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.651643 (E_RNA)
where:
Base-Base interactions energy: -115.804
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.273
local terms energy: -71.574684
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -149.869447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.869447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.869447 (E_RNA)
where:
Base-Base interactions energy: -90.492
where: short stacking energy: -38.648
Base-Backbone interact. energy: -0.138
local terms energy: -59.240090
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -149.655796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.655796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.655796 (E_RNA)
where:
Base-Base interactions energy: -95.657
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.224
local terms energy: -53.774695
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -146.570424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.570424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.570424 (E_RNA)
where:
Base-Base interactions energy: -91.315
where: short stacking energy: -43.126
Base-Backbone interact. energy: -0.162
local terms energy: -55.093864
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -90.609968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.609968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.609968 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -25.456
Base-Backbone interact. energy: -0.360
local terms energy: -49.521845
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -3.337
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: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -90.124971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124971 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -36.264
Base-Backbone interact. energy: -0.122
local terms energy: -52.268616
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -76.978039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.978039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.978039 (E_RNA)
where:
Base-Base interactions energy: -31.547
where: short stacking energy: -11.517
Base-Backbone interact. energy: 0.831
local terms energy: -46.261452
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -72.955887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.955887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.955887 (E_RNA)
where:
Base-Base interactions energy: -30.577
where: short stacking energy: -25.149
Base-Backbone interact. energy: -0.401
local terms energy: -41.978285
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -206.702735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.702735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.702735 (E_RNA)
where:
Base-Base interactions energy: -133.107
where: short stacking energy: -70.213
Base-Backbone interact. energy: -0.002
local terms energy: -73.593757
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.242
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: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -184.825733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.825733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.825733 (E_RNA)
where:
Base-Base interactions energy: -118.518
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.005
local terms energy: -66.303333
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -178.896179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.896179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.896179 (E_RNA)
where:
Base-Base interactions energy: -121.382
where: short stacking energy: -51.815
Base-Backbone interact. energy: -0.005
local terms energy: -57.509556
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -7.930
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -17.354
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: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -158.331694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.331694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.331694 (E_RNA)
where:
Base-Base interactions energy: -100.264
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.098
local terms energy: -57.969282
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -163.958441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.958441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.958441 (E_RNA)
where:
Base-Base interactions energy: -104.117
where: short stacking energy: -45.230
Base-Backbone interact. energy: -0.011
local terms energy: -59.830611
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -11.588
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: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -91.126332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.126332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.126332 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.937
local terms energy: -57.790259
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -131.955327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.955327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.955327 (E_RNA)
where:
Base-Base interactions energy: -81.865
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.624
local terms energy: -49.466632
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -4.929
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: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -82.373291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.373291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.373291 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -28.375
Base-Backbone interact. energy: -0.109
local terms energy: -52.500869
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -83.635341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.635341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.635341 (E_RNA)
where:
Base-Base interactions energy: -35.816
where: short stacking energy: -32.114
Base-Backbone interact. energy: -0.190
local terms energy: -47.629860
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -4.735
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.497428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.497428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.497428 (E_RNA)
where:
Base-Base interactions energy: -26.586
where: short stacking energy: -24.923
Base-Backbone interact. energy: -0.970
local terms energy: -47.941536
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -205.414324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.414324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.414324 (E_RNA)
where:
Base-Base interactions energy: -132.419
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.011
local terms energy: -72.985121
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -192.038541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.038541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.038541 (E_RNA)
where:
Base-Base interactions energy: -129.159
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.267
local terms energy: -62.612973
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -179.012774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.012774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.012774 (E_RNA)
where:
Base-Base interactions energy: -118.324
where: short stacking energy: -52.827
Base-Backbone interact. energy: -0.081
local terms energy: -60.607783
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -175.337862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.337862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.337862 (E_RNA)
where:
Base-Base interactions energy: -114.242
where: short stacking energy: -57.598
Base-Backbone interact. energy: -2.175
local terms energy: -58.921614
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -152.511666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.511666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.511666 (E_RNA)
where:
Base-Base interactions energy: -94.414
where: short stacking energy: -40.282
Base-Backbone interact. energy: -0.035
local terms energy: -58.062531
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -13.476
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -106.888358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.888358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.888358 (E_RNA)
where:
Base-Base interactions energy: -60.685
where: short stacking energy: -38.217
Base-Backbone interact. energy: -0.201
local terms energy: -46.002226
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -141.865490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.865490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.865490 (E_RNA)
where:
Base-Base interactions energy: -86.154
where: short stacking energy: -40.655
Base-Backbone interact. energy: -0.816
local terms energy: -54.895797
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -8.920
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -79.885008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.885008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.885008 (E_RNA)
where:
Base-Base interactions energy: -24.019
where: short stacking energy: -23.363
Base-Backbone interact. energy: -0.017
local terms energy: -55.849269
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -3.193
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: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -79.898026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.898026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.898026 (E_RNA)
where:
Base-Base interactions energy: -29.242
where: short stacking energy: -14.763
Base-Backbone interact. energy: -1.081
local terms energy: -49.575081
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.374
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: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -71.642547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.642547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.642547 (E_RNA)
where:
Base-Base interactions energy: -31.845
where: short stacking energy: -22.142
Base-Backbone interact. energy: 0.633
local terms energy: -40.430977
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -4.756
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: 0.706
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: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -204.052973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.052973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.052973 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.316
local terms energy: -73.028251
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -201.258780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.258780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.258780 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -56.769
Base-Backbone interact. energy: -0.001
local terms energy: -65.597217
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -164.681935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.681935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.681935 (E_RNA)
where:
Base-Base interactions energy: -92.343
where: short stacking energy: -46.652
Base-Backbone interact. energy: -0.018
local terms energy: -72.320672
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -180.221250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.221250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.221250 (E_RNA)
where:
Base-Base interactions energy: -119.387
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.144
local terms energy: -60.689278
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -158.368846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.368846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.368846 (E_RNA)
where:
Base-Base interactions energy: -96.229
where: short stacking energy: -42.626
Base-Backbone interact. energy: -0.302
local terms energy: -61.838241
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -10.191
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: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -121.972498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.972498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.972498 (E_RNA)
where:
Base-Base interactions energy: -64.231
where: short stacking energy: -37.773
Base-Backbone interact. energy: -0.102
local terms energy: -57.639480
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -4.782
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -117.837077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.837077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.837077 (E_RNA)
where:
Base-Base interactions energy: -70.944
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.071
local terms energy: -46.821667
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -1.164
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: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -83.645581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645581 (E_RNA)
where:
Base-Base interactions energy: -31.592
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.448
local terms energy: -51.605586
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -82.360986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.360986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.360986 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -27.818
Base-Backbone interact. energy: 0.261
local terms energy: -54.567724
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -6.997
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: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -66.638239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.638239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.638239 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -27.198
Base-Backbone interact. energy: -0.149
local terms energy: -39.291274
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -210.303259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303259 (E_RNA)
where:
Base-Base interactions energy: -136.566
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.009
local terms energy: -73.728367
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -19.086
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: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -207.726405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.726405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.726405 (E_RNA)
where:
Base-Base interactions energy: -135.215
where: short stacking energy: -70.189
Base-Backbone interact. energy: -0.128
local terms energy: -72.383385
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -187.088590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.088590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.088590 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.159
local terms energy: -69.829536
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -171.664644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.664644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.664644 (E_RNA)
where:
Base-Base interactions energy: -102.484
where: short stacking energy: -42.002
Base-Backbone interact. energy: 0.168
local terms energy: -69.349329
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -152.142254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.142254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.142254 (E_RNA)
where:
Base-Base interactions energy: -99.752
where: short stacking energy: -41.478
Base-Backbone interact. energy: 0.325
local terms energy: -52.715250
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -98.232700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.232700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.232700 (E_RNA)
where:
Base-Base interactions energy: -48.313
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.123
local terms energy: -49.796391
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -93.710529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.710529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.710529 (E_RNA)
where:
Base-Base interactions energy: -46.172
where: short stacking energy: -35.766
Base-Backbone interact. energy: -0.229
local terms energy: -47.309039
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.058
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: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -79.307982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.307982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.307982 (E_RNA)
where:
Base-Base interactions energy: -21.482
where: short stacking energy: -19.304
Base-Backbone interact. energy: -0.135
local terms energy: -57.690875
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -79.620324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.620324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.620324 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.174
local terms energy: -47.048416
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -5.486
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -4.207
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: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -72.454712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.454712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.454712 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.182
local terms energy: -46.693016
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -211.137194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.137194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.137194 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.339
local terms energy: -71.982768
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -201.454490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.454490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.454490 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.100
local terms energy: -57.482215
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -1.707
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -187.148786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.148786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.148786 (E_RNA)
where:
Base-Base interactions energy: -119.802
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.353
local terms energy: -66.994040
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -162.841953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.841953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.841953 (E_RNA)
where:
Base-Base interactions energy: -97.377
where: short stacking energy: -44.169
Base-Backbone interact. energy: 0.593
local terms energy: -66.058731
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -139.638570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.638570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.638570 (E_RNA)
where:
Base-Base interactions energy: -84.091
where: short stacking energy: -40.322
Base-Backbone interact. energy: -1.199
local terms energy: -54.348395
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -92.588576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588576 (E_RNA)
where:
Base-Base interactions energy: -45.755
where: short stacking energy: -24.865
Base-Backbone interact. energy: 0.842
local terms energy: -47.674838
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: 3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -90.988904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.988904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.988904 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -29.988
Base-Backbone interact. energy: -0.049
local terms energy: -60.951179
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -6.417
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: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -71.820112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.820112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.820112 (E_RNA)
where:
Base-Base interactions energy: -20.744
where: short stacking energy: -20.744
Base-Backbone interact. energy: -0.148
local terms energy: -50.928175
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -72.478317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.478317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.478317 (E_RNA)
where:
Base-Base interactions energy: -25.548
where: short stacking energy: -25.548
Base-Backbone interact. energy: -0.138
local terms energy: -46.792237
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -7.783
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: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -71.792032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.792032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.792032 (E_RNA)
where:
Base-Base interactions energy: -25.774
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.040
local terms energy: -45.977689
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -4.429
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: 98
Temperature: 0.900000
Total energy: -202.779278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.779278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.779278 (E_RNA)
where:
Base-Base interactions energy: -132.748
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.046
local terms energy: -69.985388
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -189.725840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.725840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.725840 (E_RNA)
where:
Base-Base interactions energy: -120.708
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.002
local terms energy: -69.015605
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -18.067
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: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -165.818082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.818082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.818082 (E_RNA)
where:
Base-Base interactions energy: -98.776
where: short stacking energy: -50.115
Base-Backbone interact. energy: -0.118
local terms energy: -66.924055
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -5.932
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: 98
Temperature: 1.050000
Total energy: -192.442734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.442734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.442734 (E_RNA)
where:
Base-Base interactions energy: -129.442
where: short stacking energy: -58.441
Base-Backbone interact. energy: -0.003
local terms energy: -62.997694
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -4.880
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -144.201989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.201989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.201989 (E_RNA)
where:
Base-Base interactions energy: -83.700
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.250
local terms energy: -60.251734
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -10.976
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: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -88.619767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.619767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.619767 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.206
local terms energy: -55.580166
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -5.588
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: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -92.176976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.176976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.176976 (E_RNA)
where:
Base-Base interactions energy: -34.260
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.016
local terms energy: -57.901502
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -9.166
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: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -87.521542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.521542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.521542 (E_RNA)
where:
Base-Base interactions energy: -39.196
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.124
local terms energy: -48.201048
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -2.428
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: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -78.135583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.135583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.135583 (E_RNA)
where:
Base-Base interactions energy: -32.652
where: short stacking energy: -25.537
Base-Backbone interact. energy: -0.354
local terms energy: -45.129641
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -75.633812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.633812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.633812 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -30.052
Base-Backbone interact. energy: -0.004
local terms energy: -43.524349
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -209.888366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.888366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.888366 (E_RNA)
where:
Base-Base interactions energy: -134.450
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.001
local terms energy: -75.438263
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -184.839078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.839078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.839078 (E_RNA)
where:
Base-Base interactions energy: -118.987
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.071
local terms energy: -65.781333
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -182.071850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.071850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.071850 (E_RNA)
where:
Base-Base interactions energy: -119.346
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.004
local terms energy: -62.721457
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -159.905732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.905732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.905732 (E_RNA)
where:
Base-Base interactions energy: -100.827
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.888
local terms energy: -58.190279
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -189.216005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.216005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.216005 (E_RNA)
where:
Base-Base interactions energy: -122.065
where: short stacking energy: -60.274
Base-Backbone interact. energy: -0.002
local terms energy: -67.149628
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -95.549445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.549445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.549445 (E_RNA)
where:
Base-Base interactions energy: -39.282
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.167
local terms energy: -56.099793
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.331
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: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -137.460771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.460771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.460771 (E_RNA)
where:
Base-Base interactions energy: -79.627
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.001
local terms energy: -57.833048
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -80.662476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.662476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.662476 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -21.791
Base-Backbone interact. energy: -0.122
local terms energy: -44.179703
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: 1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -75.395548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.395548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.395548 (E_RNA)
where:
Base-Base interactions energy: -35.333
where: short stacking energy: -11.273
Base-Backbone interact. energy: 1.638
local terms energy: -41.701169
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: 1.616
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: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -67.547530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.547530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.547530 (E_RNA)
where:
Base-Base interactions energy: -26.771
where: short stacking energy: -11.707
Base-Backbone interact. energy: -0.155
local terms energy: -40.620880
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: 5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -205.945813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945813 (E_RNA)
where:
Base-Base interactions energy: -136.872
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.001
local terms energy: -69.073655
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -184.639306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.639306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.639306 (E_RNA)
where:
Base-Base interactions energy: -113.560
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.002
local terms energy: -71.077224
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -166.516489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.516489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.516489 (E_RNA)
where:
Base-Base interactions energy: -102.691
where: short stacking energy: -51.062
Base-Backbone interact. energy: -0.003
local terms energy: -63.821810
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -9.584
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -164.305875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.305875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.305875 (E_RNA)
where:
Base-Base interactions energy: -107.082
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.274
local terms energy: -56.949305
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -3.812
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -187.586163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.586163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.586163 (E_RNA)
where:
Base-Base interactions energy: -127.719
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.317
local terms energy: -59.549934
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -7.480
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.388
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: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -97.022289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.022289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.022289 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -39.521
Base-Backbone interact. energy: 0.869
local terms energy: -58.186349
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -7.608
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: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -139.483487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.483487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.483487 (E_RNA)
where:
Base-Base interactions energy: -83.313
where: short stacking energy: -47.020
Base-Backbone interact. energy: 1.454
local terms energy: -57.624703
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -85.956287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.956287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.956287 (E_RNA)
where:
Base-Base interactions energy: -35.835
where: short stacking energy: -33.285
Base-Backbone interact. energy: -0.714
local terms energy: -49.407830
where:
bonds (distance) C4'-P energy: -5.517
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -6.664
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: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -81.238217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.238217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.238217 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.165
local terms energy: -42.088609
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -0.612
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: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -67.312570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.312570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.312570 (E_RNA)
where:
Base-Base interactions energy: -16.701
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.151
local terms energy: -50.460335
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -0.409
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: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -201.367721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.367721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.367721 (E_RNA)
where:
Base-Base interactions energy: -127.507
where: short stacking energy: -62.338
Base-Backbone interact. energy: -0.005
local terms energy: -73.855115
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -208.397852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.397852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397852 (E_RNA)
where:
Base-Base interactions energy: -140.819
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.361
local terms energy: -67.217779
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -15.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -179.669657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669657 (E_RNA)
where:
Base-Base interactions energy: -108.130
where: short stacking energy: -46.502
Base-Backbone interact. energy: -0.026
local terms energy: -71.513359
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -176.155910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.155910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.155910 (E_RNA)
where:
Base-Base interactions energy: -112.800
where: short stacking energy: -44.388
Base-Backbone interact. energy: -0.128
local terms energy: -63.228178
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -12.383
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: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -171.116767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.116767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.116767 (E_RNA)
where:
Base-Base interactions energy: -106.767
where: short stacking energy: -44.927
Base-Backbone interact. energy: -0.070
local terms energy: -64.279692
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -92.077013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.077013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.077013 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.187
local terms energy: -51.834758
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -6.456
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: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -82.510779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.510779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.510779 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -28.183
Base-Backbone interact. energy: -1.422
local terms energy: -52.905400
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -7.826
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -80.375204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.375204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.375204 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -30.132
Base-Backbone interact. energy: -1.128
local terms energy: -49.115222
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -74.666350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.666350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.666350 (E_RNA)
where:
Base-Base interactions energy: -28.084
where: short stacking energy: -14.619
Base-Backbone interact. energy: -0.334
local terms energy: -46.247697
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -76.421726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.421726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.421726 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -25.180
Base-Backbone interact. energy: -0.186
local terms energy: -42.922083
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -199.158867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.158867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.158867 (E_RNA)
where:
Base-Base interactions energy: -130.064
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.158
local terms energy: -68.936926
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -16.840
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: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -205.435607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.435607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.435607 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.414
local terms energy: -69.855155
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -20.846
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: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -187.646324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.646324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.646324 (E_RNA)
where:
Base-Base interactions energy: -116.286
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.001
local terms energy: -71.358816
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -17.040
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: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -156.601545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.601545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.601545 (E_RNA)
where:
Base-Base interactions energy: -94.001
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.055
local terms energy: -62.545444
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -138.361538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.361538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.361538 (E_RNA)
where:
Base-Base interactions energy: -82.334
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.666
local terms energy: -55.361591
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -5.780
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: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -106.066128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.066128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.066128 (E_RNA)
where:
Base-Base interactions energy: -45.577
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.155
local terms energy: -60.333864
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -83.314122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.314122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.314122 (E_RNA)
where:
Base-Base interactions energy: -29.721
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.149
local terms energy: -53.444325
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -8.353
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: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -83.431270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.431270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.431270 (E_RNA)
where:
Base-Base interactions energy: -42.435
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.123
local terms energy: -40.873469
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -7.918
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -78.184200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.184200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.184200 (E_RNA)
where:
Base-Base interactions energy: -25.189
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.952
local terms energy: -52.043251
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -70.692512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.692512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.692512 (E_RNA)
where:
Base-Base interactions energy: -28.564
where: short stacking energy: -26.764
Base-Backbone interact. energy: -0.146
local terms energy: -41.982115
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -197.441703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.441703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441703 (E_RNA)
where:
Base-Base interactions energy: -128.150
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.001
local terms energy: -69.290409
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -17.119
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: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -197.291497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.291497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.291497 (E_RNA)
where:
Base-Base interactions energy: -125.431
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.070
local terms energy: -71.789740
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -16.287
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: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -173.137624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.137624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.137624 (E_RNA)
where:
Base-Base interactions energy: -108.645
where: short stacking energy: -47.180
Base-Backbone interact. energy: -0.004
local terms energy: -64.488678
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -155.060864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.060864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.060864 (E_RNA)
where:
Base-Base interactions energy: -87.359
where: short stacking energy: -42.227
Base-Backbone interact. energy: -0.303
local terms energy: -67.398817
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -10.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -148.883170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.883170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.883170 (E_RNA)
where:
Base-Base interactions energy: -88.215
where: short stacking energy: -49.156
Base-Backbone interact. energy: -0.074
local terms energy: -60.594092
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -98.718237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.718237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.718237 (E_RNA)
where:
Base-Base interactions energy: -47.294
where: short stacking energy: -21.953
Base-Backbone interact. energy: 0.609
local terms energy: -52.033696
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: 1.290
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: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -86.578867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.578867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.578867 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -30.036
Base-Backbone interact. energy: -0.218
local terms energy: -53.961822
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -8.781
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: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -84.009968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.009968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.009968 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -24.901
Base-Backbone interact. energy: -0.237
local terms energy: -49.474891
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: 1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -72.434699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.434699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.434699 (E_RNA)
where:
Base-Base interactions energy: -25.462
where: short stacking energy: -15.423
Base-Backbone interact. energy: -0.200
local terms energy: -46.772507
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -3.512
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: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -75.366320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.366320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.366320 (E_RNA)
where:
Base-Base interactions energy: -29.498
where: short stacking energy: -29.498
Base-Backbone interact. energy: -1.379
local terms energy: -44.489529
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -8.739
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -199.212373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.212373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.212373 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.542
local terms energy: -67.161402
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -193.361978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.361978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.361978 (E_RNA)
where:
Base-Base interactions energy: -124.974
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.222
local terms energy: -68.165205
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.233
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: 104
Temperature: 1.000000
Total energy: -167.494867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.494867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.494867 (E_RNA)
where:
Base-Base interactions energy: -98.739
where: short stacking energy: -43.774
Base-Backbone interact. energy: 0.475
local terms energy: -69.229973
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -13.173
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: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -178.012966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.012966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.012966 (E_RNA)
where:
Base-Base interactions energy: -112.531
where: short stacking energy: -53.701
Base-Backbone interact. energy: 0.357
local terms energy: -65.838197
where:
bonds (distance) C4'-P energy: -5.660
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -148.469358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.469358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.469358 (E_RNA)
where:
Base-Base interactions energy: -88.897
where: short stacking energy: -36.826
Base-Backbone interact. energy: -0.049
local terms energy: -59.523405
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -97.311815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.311815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.311815 (E_RNA)
where:
Base-Base interactions energy: -42.504
where: short stacking energy: -28.907
Base-Backbone interact. energy: -0.111
local terms energy: -54.696597
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -95.350323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.350323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.350323 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -24.545
Base-Backbone interact. energy: -0.090
local terms energy: -58.660098
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -7.928
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: 104
Temperature: 1.250000
Total energy: -80.294977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.294977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.294977 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -25.814
Base-Backbone interact. energy: -1.308
local terms energy: -47.412971
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -80.822085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822085 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -22.133
Base-Backbone interact. energy: 0.092
local terms energy: -51.472547
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -71.086300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.086300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.086300 (E_RNA)
where:
Base-Base interactions energy: -23.649
where: short stacking energy: -22.802
Base-Backbone interact. energy: -0.268
local terms energy: -47.169138
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -2.845
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: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -199.141409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.141409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.141409 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -58.152
Base-Backbone interact. energy: 0.074
local terms energy: -67.999937
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -191.886062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.886062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.886062 (E_RNA)
where:
Base-Base interactions energy: -124.868
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.393
local terms energy: -66.625156
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -10.392
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -156.274940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.274940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.274940 (E_RNA)
where:
Base-Base interactions energy: -102.463
where: short stacking energy: -49.345
Base-Backbone interact. energy: -0.109
local terms energy: -53.702488
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -169.597899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.597899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.597899 (E_RNA)
where:
Base-Base interactions energy: -109.496
where: short stacking energy: -46.777
Base-Backbone interact. energy: -0.003
local terms energy: -60.099370
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -174.480477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.480477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.480477 (E_RNA)
where:
Base-Base interactions energy: -108.704
where: short stacking energy: -48.477
Base-Backbone interact. energy: -0.023
local terms energy: -65.753501
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -13.635
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: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -94.649320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.649320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.649320 (E_RNA)
where:
Base-Base interactions energy: -46.061
where: short stacking energy: -30.318
Base-Backbone interact. energy: 1.257
local terms energy: -49.845610
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -95.771550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.771550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.771550 (E_RNA)
where:
Base-Base interactions energy: -50.194
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.630
local terms energy: -44.947748
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: 3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -85.016183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.016183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.016183 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -25.425
Base-Backbone interact. energy: -1.239
local terms energy: -45.640371
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -10.338
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: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -86.153880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.153880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.153880 (E_RNA)
where:
Base-Base interactions energy: -32.769
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.119
local terms energy: -53.266031
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -10.691
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: 105
Temperature: 1.350000
Total energy: -81.500818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.500818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.500818 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.059
local terms energy: -50.123600
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -6.082
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: 106
Temperature: 0.900000
Total energy: -213.604551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604551 (E_RNA)
where:
Base-Base interactions energy: -138.782
where: short stacking energy: -66.554
Base-Backbone interact. energy: -0.000
local terms energy: -74.822449
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -194.288038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.288038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.288038 (E_RNA)
where:
Base-Base interactions energy: -124.165
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.006
local terms energy: -70.116658
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.459
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -185.351675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.351675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.351675 (E_RNA)
where:
Base-Base interactions energy: -119.777
where: short stacking energy: -57.054
Base-Backbone interact. energy: 0.468
local terms energy: -66.042874
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -11.656
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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -159.447622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.447622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.447622 (E_RNA)
where:
Base-Base interactions energy: -95.294
where: short stacking energy: -45.138
Base-Backbone interact. energy: -0.175
local terms energy: -63.978496
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -11.329
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: 106
Temperature: 1.100000
Total energy: -175.227933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.227933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.227933 (E_RNA)
where:
Base-Base interactions energy: -100.777
where: short stacking energy: -46.257
Base-Backbone interact. energy: -0.037
local terms energy: -74.413910
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -90.782246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.782246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.782246 (E_RNA)
where:
Base-Base interactions energy: -45.021
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.180
local terms energy: -45.580983
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -92.634553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.634553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.634553 (E_RNA)
where:
Base-Base interactions energy: -44.670
where: short stacking energy: -23.071
Base-Backbone interact. energy: -0.133
local terms energy: -47.831245
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: 0.219
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: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -101.652869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.652869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.652869 (E_RNA)
where:
Base-Base interactions energy: -57.690
where: short stacking energy: -22.917
Base-Backbone interact. energy: -0.058
local terms energy: -43.905106
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -9.101
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: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -75.992629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992629 (E_RNA)
where:
Base-Base interactions energy: -26.593
where: short stacking energy: -23.412
Base-Backbone interact. energy: -0.208
local terms energy: -49.191769
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.757
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -78.367277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.367277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.367277 (E_RNA)
where:
Base-Base interactions energy: -39.160
where: short stacking energy: -24.925
Base-Backbone interact. energy: -0.229
local terms energy: -38.978433
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -8.344
flat angles P-C4'-P energy: -6.522
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: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -209.510876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.510876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.510876 (E_RNA)
where:
Base-Base interactions energy: -141.206
where: short stacking energy: -65.425
Base-Backbone interact. energy: -0.156
local terms energy: -68.148483
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -7.249
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -207.362107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.362107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.362107 (E_RNA)
where:
Base-Base interactions energy: -135.310
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.002
local terms energy: -72.049470
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -185.486392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.486392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.486392 (E_RNA)
where:
Base-Base interactions energy: -122.443
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.099
local terms energy: -62.944623
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -174.393661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.393661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.393661 (E_RNA)
where:
Base-Base interactions energy: -114.001
where: short stacking energy: -47.472
Base-Backbone interact. energy: 0.147
local terms energy: -60.539855
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -154.595746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.595746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.595746 (E_RNA)
where:
Base-Base interactions energy: -92.973
where: short stacking energy: -47.178
Base-Backbone interact. energy: -0.082
local terms energy: -61.540213
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -12.125
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -89.006122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.006122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.006122 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.472
local terms energy: -47.193091
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -6.639
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: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -91.072276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.072276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.072276 (E_RNA)
where:
Base-Base interactions energy: -33.852
where: short stacking energy: -33.852
Base-Backbone interact. energy: -0.028
local terms energy: -57.192826
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -80.137473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137473 (E_RNA)
where:
Base-Base interactions energy: -39.834
where: short stacking energy: -13.143
Base-Backbone interact. energy: -0.054
local terms energy: -40.248891
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -4.868
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: 9, replica: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -71.213397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.213397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.213397 (E_RNA)
where:
Base-Base interactions energy: -29.938
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.141
local terms energy: -41.134679
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -3.109
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -68.251764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.251764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.251764 (E_RNA)
where:
Base-Base interactions energy: -18.388
where: short stacking energy: -18.388
Base-Backbone interact. energy: -0.105
local terms energy: -49.758463
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -9.007
flat angles P-C4'-P energy: -11.890
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: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -213.539851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.539851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.539851 (E_RNA)
where:
Base-Base interactions energy: -135.735
where: short stacking energy: -62.734
Base-Backbone interact. energy: -0.002
local terms energy: -77.802701
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -195.356771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.356771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.356771 (E_RNA)
where:
Base-Base interactions energy: -125.136
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.078
local terms energy: -70.143007
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -15.754
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: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -183.594514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.594514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.594514 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.000
local terms energy: -62.193499
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -192.668500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.668500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.668500 (E_RNA)
where:
Base-Base interactions energy: -126.324
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.106
local terms energy: -66.238393
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -18.448
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: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -165.207387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.207387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.207387 (E_RNA)
where:
Base-Base interactions energy: -100.852
where: short stacking energy: -43.856
Base-Backbone interact. energy: -0.171
local terms energy: -64.184052
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -92.278137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.278137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.278137 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.159
local terms energy: -60.986804
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: 0.080
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: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -94.236546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.236546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.236546 (E_RNA)
where:
Base-Base interactions energy: -42.902
where: short stacking energy: -34.802
Base-Backbone interact. energy: -0.034
local terms energy: -51.300724
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -8.929
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: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -97.348466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.348466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.348466 (E_RNA)
where:
Base-Base interactions energy: -46.577
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.046
local terms energy: -50.725521
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -77.570479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.570479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.570479 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -28.925
Base-Backbone interact. energy: -0.317
local terms energy: -46.184354
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -79.343602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.343602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.343602 (E_RNA)
where:
Base-Base interactions energy: -31.999
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.053
local terms energy: -47.291877
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -3.998
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: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -214.556492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.556492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.556492 (E_RNA)
where:
Base-Base interactions energy: -139.356
where: short stacking energy: -66.835
Base-Backbone interact. energy: -0.097
local terms energy: -75.102963
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -195.261871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.261871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.261871 (E_RNA)
where:
Base-Base interactions energy: -130.073
where: short stacking energy: -49.867
Base-Backbone interact. energy: -0.100
local terms energy: -65.088410
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -173.195260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.195260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.195260 (E_RNA)
where:
Base-Base interactions energy: -106.221
where: short stacking energy: -47.428
Base-Backbone interact. energy: -0.231
local terms energy: -66.743948
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -190.797719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.797719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.797719 (E_RNA)
where:
Base-Base interactions energy: -125.074
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.002
local terms energy: -65.721293
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -163.340450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.340450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.340450 (E_RNA)
where:
Base-Base interactions energy: -103.205
where: short stacking energy: -47.505
Base-Backbone interact. energy: -0.013
local terms energy: -60.122790
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -8.278
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: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -85.641480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641480 (E_RNA)
where:
Base-Base interactions energy: -47.256
where: short stacking energy: -40.322
Base-Backbone interact. energy: -0.052
local terms energy: -38.332993
where:
bonds (distance) C4'-P energy: -2.728
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -87.853469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.853469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.853469 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -32.127
Base-Backbone interact. energy: -0.097
local terms energy: -52.398385
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -77.221737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.221737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.221737 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.954
local terms energy: -44.210778
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -3.390
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -77.681792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.681792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.681792 (E_RNA)
where:
Base-Base interactions energy: -34.442
where: short stacking energy: -22.924
Base-Backbone interact. energy: -0.087
local terms energy: -43.153426
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -1.899
tors. eta vs tors. theta energy: -0.405
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: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -77.336841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.336841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.336841 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -26.916
Base-Backbone interact. energy: -0.218
local terms energy: -50.203409
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -1.692
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: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -200.388281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.388281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.388281 (E_RNA)
where:
Base-Base interactions energy: -134.322
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.001
local terms energy: -66.065474
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -5.886
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: 2, replica: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -203.383219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.383219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.383219 (E_RNA)
where:
Base-Base interactions energy: -126.905
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.001
local terms energy: -76.476928
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -189.216517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.216517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.216517 (E_RNA)
where:
Base-Base interactions energy: -123.494
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.001
local terms energy: -65.720889
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -172.598454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.598454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.598454 (E_RNA)
where:
Base-Base interactions energy: -108.296
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.003
local terms energy: -64.299072
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.662
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: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -158.459282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.459282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.459282 (E_RNA)
where:
Base-Base interactions energy: -107.964
where: short stacking energy: -41.538
Base-Backbone interact. energy: -0.553
local terms energy: -49.942575
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -86.069687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.069687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.069687 (E_RNA)
where:
Base-Base interactions energy: -28.900
where: short stacking energy: -13.217
Base-Backbone interact. energy: -0.206
local terms energy: -56.963186
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -91.176710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.176710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.176710 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.018
local terms energy: -56.672387
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -4.089
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: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -78.296496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.296496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.296496 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.028
local terms energy: -47.089146
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -98.953512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.953512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.953512 (E_RNA)
where:
Base-Base interactions energy: -46.979
where: short stacking energy: -32.703
Base-Backbone interact. energy: -1.904
local terms energy: -50.070587
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -7.482
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -6.800
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: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -76.411541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.411541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.411541 (E_RNA)
where:
Base-Base interactions energy: -22.698
where: short stacking energy: -18.384
Base-Backbone interact. energy: -0.216
local terms energy: -53.498090
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -10.633
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: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -209.760586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.760586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.760586 (E_RNA)
where:
Base-Base interactions energy: -143.458
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.025
local terms energy: -66.277971
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -193.453650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.453650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.453650 (E_RNA)
where:
Base-Base interactions energy: -130.397
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.001
local terms energy: -63.055810
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -18.253
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: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -194.814206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.814206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.814206 (E_RNA)
where:
Base-Base interactions energy: -128.980
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.059
local terms energy: -65.774839
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -180.558829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.558829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.558829 (E_RNA)
where:
Base-Base interactions energy: -111.592
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.005
local terms energy: -68.962199
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -153.462294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.462294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.462294 (E_RNA)
where:
Base-Base interactions energy: -99.073
where: short stacking energy: -38.339
Base-Backbone interact. energy: -0.281
local terms energy: -54.107682
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.522
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: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -94.954728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.954728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.954728 (E_RNA)
where:
Base-Base interactions energy: -43.085
where: short stacking energy: -35.362
Base-Backbone interact. energy: 1.064
local terms energy: -52.934061
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -9.515
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -6.981
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -103.455219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.455219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.455219 (E_RNA)
where:
Base-Base interactions energy: -52.666
where: short stacking energy: -30.716
Base-Backbone interact. energy: -1.812
local terms energy: -48.977662
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -9.273
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: 111
Temperature: 1.250000
Total energy: -90.045335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.045335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.045335 (E_RNA)
where:
Base-Base interactions energy: -32.900
where: short stacking energy: -32.462
Base-Backbone interact. energy: -0.105
local terms energy: -57.040745
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -77.368131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.368131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.368131 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -25.911
Base-Backbone interact. energy: -0.081
local terms energy: -51.375646
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -1.783
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: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -84.006957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.006957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.006957 (E_RNA)
where:
Base-Base interactions energy: -39.023
where: short stacking energy: -27.430
Base-Backbone interact. energy: 1.342
local terms energy: -46.325539
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -207.176755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.176755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176755 (E_RNA)
where:
Base-Base interactions energy: -131.147
where: short stacking energy: -58.364
Base-Backbone interact. energy: -0.116
local terms energy: -75.913788
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -20.524
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -196.920926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.920926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.920926 (E_RNA)
where:
Base-Base interactions energy: -127.876
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.008
local terms energy: -69.036811
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -181.591846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.591846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.591846 (E_RNA)
where:
Base-Base interactions energy: -118.089
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.093
local terms energy: -63.409554
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -15.455
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: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -197.786824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.786824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.786824 (E_RNA)
where:
Base-Base interactions energy: -120.946
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.000
local terms energy: -76.840990
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -19.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -144.602371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.602371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.602371 (E_RNA)
where:
Base-Base interactions energy: -88.122
where: short stacking energy: -30.900
Base-Backbone interact. energy: -0.023
local terms energy: -56.457551
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -99.790026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.790026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.790026 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -32.758
Base-Backbone interact. energy: -0.751
local terms energy: -62.343859
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -11.484
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: 112
Temperature: 1.200000
Total energy: -78.803694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.803694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.803694 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.524
local terms energy: -49.717808
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -98.891547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.891547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.891547 (E_RNA)
where:
Base-Base interactions energy: -62.762
where: short stacking energy: -29.634
Base-Backbone interact. energy: -0.218
local terms energy: -35.911562
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: 0.170
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: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -90.695293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.695293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.695293 (E_RNA)
where:
Base-Base interactions energy: -45.112
where: short stacking energy: -27.204
Base-Backbone interact. energy: -0.310
local terms energy: -45.273289
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -0.852
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -76.489707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.489707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.489707 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.123
local terms energy: -39.587809
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -10.776
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -6.197
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: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -205.181899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.181899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.181899 (E_RNA)
where:
Base-Base interactions energy: -135.437
where: short stacking energy: -56.270
Base-Backbone interact. energy: 0.251
local terms energy: -69.996155
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -19.279
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: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -208.350013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.350013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.350013 (E_RNA)
where:
Base-Base interactions energy: -133.306
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.223
local terms energy: -74.821352
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -203.347227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347227 (E_RNA)
where:
Base-Base interactions energy: -133.601
where: short stacking energy: -61.429
Base-Backbone interact. energy: -0.096
local terms energy: -69.650277
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -159.364022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.364022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.364022 (E_RNA)
where:
Base-Base interactions energy: -92.360
where: short stacking energy: -49.078
Base-Backbone interact. energy: -0.083
local terms energy: -66.921435
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -15.833
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -183.363099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.363099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.363099 (E_RNA)
where:
Base-Base interactions energy: -117.196
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.845
local terms energy: -65.321833
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -102.158240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.158240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.158240 (E_RNA)
where:
Base-Base interactions energy: -44.083
where: short stacking energy: -36.185
Base-Backbone interact. energy: -0.022
local terms energy: -58.053030
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -75.369241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.369241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.369241 (E_RNA)
where:
Base-Base interactions energy: -34.872
where: short stacking energy: -33.356
Base-Backbone interact. energy: -0.244
local terms energy: -40.253392
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -8.929
flat angles C4'-P-C4' energy: -6.938
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -81.194384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194384 (E_RNA)
where:
Base-Base interactions energy: -32.560
where: short stacking energy: -32.560
Base-Backbone interact. energy: -0.154
local terms energy: -48.481203
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -77.374646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.374646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.374646 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.154
local terms energy: -50.165853
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.420
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: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -74.941487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.941487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.941487 (E_RNA)
where:
Base-Base interactions energy: -37.377
where: short stacking energy: -32.666
Base-Backbone interact. energy: 0.421
local terms energy: -37.985822
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -8.578
flat angles C4'-P-C4' energy: -5.530
flat angles P-C4'-P energy: -5.554
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: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -208.907329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.907329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.907329 (E_RNA)
where:
Base-Base interactions energy: -138.398
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.681
local terms energy: -69.828492
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.398
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: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -202.535762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.535762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.535762 (E_RNA)
where:
Base-Base interactions energy: -132.832
where: short stacking energy: -56.678
Base-Backbone interact. energy: 1.961
local terms energy: -71.664382
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -206.609417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.609417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.609417 (E_RNA)
where:
Base-Base interactions energy: -136.311
where: short stacking energy: -56.104
Base-Backbone interact. energy: 3.467
local terms energy: -73.765191
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -18.474
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: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -172.923932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.923932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.923932 (E_RNA)
where:
Base-Base interactions energy: -112.980
where: short stacking energy: -43.486
Base-Backbone interact. energy: -0.073
local terms energy: -59.870454
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -5.024
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: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -178.397062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.397062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.397062 (E_RNA)
where:
Base-Base interactions energy: -109.217
where: short stacking energy: -50.624
Base-Backbone interact. energy: -0.102
local terms energy: -69.077656
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -86.903572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.903572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.903572 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -38.504
Base-Backbone interact. energy: -0.447
local terms energy: -47.952278
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -7.130
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -91.424457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.424457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.424457 (E_RNA)
where:
Base-Base interactions energy: -36.596
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.524
local terms energy: -54.304760
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -81.701731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.701731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.701731 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.601
local terms energy: -48.903326
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -78.255667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.255667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.255667 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -14.109
Base-Backbone interact. energy: -0.161
local terms energy: -44.095339
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -76.301363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.301363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.301363 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -24.725
Base-Backbone interact. energy: 2.013
local terms energy: -41.913443
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -0.221
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: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -214.849880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.849880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.849880 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.628
local terms energy: -70.692148
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -207.823748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.823748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.823748 (E_RNA)
where:
Base-Base interactions energy: -139.755
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.056
local terms energy: -68.012469
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -198.074152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.074152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.074152 (E_RNA)
where:
Base-Base interactions energy: -131.993
where: short stacking energy: -54.969
Base-Backbone interact. energy: -0.701
local terms energy: -65.379814
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -187.140736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.140736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.140736 (E_RNA)
where:
Base-Base interactions energy: -123.977
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.405
local terms energy: -62.758878
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -16.163
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: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -149.219201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.219201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.219201 (E_RNA)
where:
Base-Base interactions energy: -90.970
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.254
local terms energy: -57.995665
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -12.301
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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -116.565292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.565292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.565292 (E_RNA)
where:
Base-Base interactions energy: -64.120
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.084
local terms energy: -52.361467
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -7.165
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -7.172
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: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -84.098725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098725 (E_RNA)
where:
Base-Base interactions energy: -34.348
where: short stacking energy: -34.106
Base-Backbone interact. energy: -0.079
local terms energy: -49.671186
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -82.541520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.541520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.541520 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -13.594
Base-Backbone interact. energy: -0.144
local terms energy: -56.833251
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -82.532082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.532082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.532082 (E_RNA)
where:
Base-Base interactions energy: -32.233
where: short stacking energy: -31.493
Base-Backbone interact. energy: -0.111
local terms energy: -50.188681
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -77.766109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.766109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.766109 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -16.064
Base-Backbone interact. energy: 0.668
local terms energy: -42.514389
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: 2.281
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: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -209.914004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.914004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.914004 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -63.467
Base-Backbone interact. energy: 0.138
local terms energy: -76.746461
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -199.503208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.503208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.503208 (E_RNA)
where:
Base-Base interactions energy: -129.467
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.490
local terms energy: -69.546226
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -17.079
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: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -201.459936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.459936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.459936 (E_RNA)
where:
Base-Base interactions energy: -132.712
where: short stacking energy: -58.218
Base-Backbone interact. energy: -0.794
local terms energy: -67.953829
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.099
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -181.229438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.229438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.229438 (E_RNA)
where:
Base-Base interactions energy: -121.751
where: short stacking energy: -49.889
Base-Backbone interact. energy: -0.686
local terms energy: -58.793065
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -15.706
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: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -145.124883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.124883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.124883 (E_RNA)
where:
Base-Base interactions energy: -89.391
where: short stacking energy: -41.002
Base-Backbone interact. energy: -0.996
local terms energy: -54.737448
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -10.651
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: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -138.610278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.610278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.610278 (E_RNA)
where:
Base-Base interactions energy: -86.041
where: short stacking energy: -40.387
Base-Backbone interact. energy: 0.128
local terms energy: -52.697242
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -81.648887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.648887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.648887 (E_RNA)
where:
Base-Base interactions energy: -27.999
where: short stacking energy: -23.416
Base-Backbone interact. energy: -0.106
local terms energy: -53.543337
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -6.790
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: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -87.523053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.523053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.523053 (E_RNA)
where:
Base-Base interactions energy: -44.902
where: short stacking energy: -24.336
Base-Backbone interact. energy: 1.228
local terms energy: -43.849432
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -75.291284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.291284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.291284 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.240
local terms energy: -49.205736
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -8.295
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -82.773655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773655 (E_RNA)
where:
Base-Base interactions energy: -31.461
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.122
local terms energy: -51.190741
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -11.061
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -205.997790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.997790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.997790 (E_RNA)
where:
Base-Base interactions energy: -141.039
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.002
local terms energy: -64.957192
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -199.921197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.921197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.921197 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.008
local terms energy: -73.429579
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -198.369522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.369522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.369522 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -57.955
Base-Backbone interact. energy: -0.309
local terms energy: -69.858270
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -162.489539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.489539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.489539 (E_RNA)
where:
Base-Base interactions energy: -100.114
where: short stacking energy: -44.494
Base-Backbone interact. energy: -0.007
local terms energy: -62.369319
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -9.117
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: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -132.581278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.581278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.581278 (E_RNA)
where:
Base-Base interactions energy: -70.570
where: short stacking energy: -34.650
Base-Backbone interact. energy: -1.230
local terms energy: -60.781423
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -7.632
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -98.654672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.654672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.654672 (E_RNA)
where:
Base-Base interactions energy: -51.094
where: short stacking energy: -32.739
Base-Backbone interact. energy: -0.307
local terms energy: -47.253631
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -132.108281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.108281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.108281 (E_RNA)
where:
Base-Base interactions energy: -83.293
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.408
local terms energy: -48.407335
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -4.201
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: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -80.282066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.282066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.282066 (E_RNA)
where:
Base-Base interactions energy: -27.838
where: short stacking energy: -24.702
Base-Backbone interact. energy: -0.214
local terms energy: -52.230469
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -74.394885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.394885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.394885 (E_RNA)
where:
Base-Base interactions energy: -29.753
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.238
local terms energy: -44.403823
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: 3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -67.155578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.155578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.155578 (E_RNA)
where:
Base-Base interactions energy: -17.613
where: short stacking energy: -17.065
Base-Backbone interact. energy: -0.724
local terms energy: -48.818630
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -205.827708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.827708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.827708 (E_RNA)
where:
Base-Base interactions energy: -133.055
where: short stacking energy: -55.983
Base-Backbone interact. energy: -0.001
local terms energy: -72.772177
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.590
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -207.324283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.324283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.324283 (E_RNA)
where:
Base-Base interactions energy: -133.970
where: short stacking energy: -56.889
Base-Backbone interact. energy: 0.037
local terms energy: -73.391425
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -195.800982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.800982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.800982 (E_RNA)
where:
Base-Base interactions energy: -131.454
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.065
local terms energy: -64.282336
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -160.920312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.920312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.920312 (E_RNA)
where:
Base-Base interactions energy: -91.756
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.001
local terms energy: -69.164109
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -144.092703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.092703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.092703 (E_RNA)
where:
Base-Base interactions energy: -86.188
where: short stacking energy: -40.321
Base-Backbone interact. energy: -0.055
local terms energy: -57.850174
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -113.584123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584123 (E_RNA)
where:
Base-Base interactions energy: -56.632
where: short stacking energy: -39.557
Base-Backbone interact. energy: -0.313
local terms energy: -56.639504
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -8.604
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: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -82.615745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.615745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.615745 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -27.156
Base-Backbone interact. energy: -0.028
local terms energy: -50.113102
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -3.035
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -84.486059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.486059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.486059 (E_RNA)
where:
Base-Base interactions energy: -31.363
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.640
local terms energy: -52.483631
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.274
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: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -74.642206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.642206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.642206 (E_RNA)
where:
Base-Base interactions energy: -21.158
where: short stacking energy: -19.203
Base-Backbone interact. energy: -0.200
local terms energy: -53.284587
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -0.850
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: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -77.579549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.579549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.579549 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -32.909
Base-Backbone interact. energy: -0.108
local terms energy: -44.466054
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -211.708200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.708200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.708200 (E_RNA)
where:
Base-Base interactions energy: -138.080
where: short stacking energy: -64.161
Base-Backbone interact. energy: -0.062
local terms energy: -73.566176
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -193.257377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.257377 (E_RNA)
where:
Base-Base interactions energy: -123.554
where: short stacking energy: -45.291
Base-Backbone interact. energy: -0.736
local terms energy: -68.967184
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -211.116274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.116274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.116274 (E_RNA)
where:
Base-Base interactions energy: -134.768
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.000
local terms energy: -76.348040
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.150
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: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -167.640139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.640139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.640139 (E_RNA)
where:
Base-Base interactions energy: -99.522
where: short stacking energy: -44.954
Base-Backbone interact. energy: -0.006
local terms energy: -68.112523
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -10.387
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: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -153.386085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.386085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.386085 (E_RNA)
where:
Base-Base interactions energy: -96.670
where: short stacking energy: -36.519
Base-Backbone interact. energy: -0.326
local terms energy: -56.389615
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -104.501747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.501747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.501747 (E_RNA)
where:
Base-Base interactions energy: -40.369
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.714
local terms energy: -63.418754
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -11.066
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: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -101.518038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.518038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.518038 (E_RNA)
where:
Base-Base interactions energy: -52.985
where: short stacking energy: -32.503
Base-Backbone interact. energy: -0.032
local terms energy: -48.501399
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -8.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -88.285853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.285853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.285853 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -27.956
Base-Backbone interact. energy: -0.239
local terms energy: -50.259779
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -3.412
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -73.253780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.253780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.253780 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -28.377
Base-Backbone interact. energy: -1.393
local terms energy: -39.456358
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -6.902
flat angles P-C4'-P energy: -8.629
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: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -76.049344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.049344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.049344 (E_RNA)
where:
Base-Base interactions energy: -25.237
where: short stacking energy: -19.918
Base-Backbone interact. energy: -0.438
local terms energy: -50.373526
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.325
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: 120
Temperature: 0.900000
Total energy: -216.258359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.258359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.258359 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.002
local terms energy: -77.793932
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -200.500816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.500816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.500816 (E_RNA)
where:
Base-Base interactions energy: -130.055
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.820
local terms energy: -69.626188
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -9.575
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: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -204.979362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.979362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.979362 (E_RNA)
where:
Base-Base interactions energy: -134.181
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.290
local terms energy: -70.508212
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -166.109782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.109782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.109782 (E_RNA)
where:
Base-Base interactions energy: -99.516
where: short stacking energy: -37.875
Base-Backbone interact. energy: -0.012
local terms energy: -66.581455
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -13.166
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -158.324957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.324957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.324957 (E_RNA)
where:
Base-Base interactions energy: -99.212
where: short stacking energy: -49.541
Base-Backbone interact. energy: -0.090
local terms energy: -59.023818
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -11.631
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: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -104.342624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.342624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.342624 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -37.921
Base-Backbone interact. energy: -0.001
local terms energy: -66.420599
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -8.054
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: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -79.979092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.979092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.979092 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.095
local terms energy: -44.497684
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -98.395463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.395463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.395463 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -40.673
Base-Backbone interact. energy: -0.104
local terms energy: -54.089130
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -6.866
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -78.904105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.904105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.904105 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -31.425
Base-Backbone interact. energy: 0.294
local terms energy: -47.040910
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.382610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.382610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.382610 (E_RNA)
where:
Base-Base interactions energy: -35.598
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.120
local terms energy: -46.664553
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -2.287
tors. eta vs tors. theta energy: -7.171
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: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -212.639047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.639047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.639047 (E_RNA)
where:
Base-Base interactions energy: -142.428
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.003
local terms energy: -70.208046
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -204.251297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.251297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.251297 (E_RNA)
where:
Base-Base interactions energy: -132.809
where: short stacking energy: -54.388
Base-Backbone interact. energy: -0.005
local terms energy: -71.437708
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -198.421917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.421917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.421917 (E_RNA)
where:
Base-Base interactions energy: -133.206
where: short stacking energy: -57.546
Base-Backbone interact. energy: 1.273
local terms energy: -66.489355
where:
bonds (distance) C4'-P energy: -6.850
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -21.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -155.049071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.049071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.049071 (E_RNA)
where:
Base-Base interactions energy: -100.771
where: short stacking energy: -54.388
Base-Backbone interact. energy: 0.255
local terms energy: -54.532825
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -9.720
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -7.500
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: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -149.266805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.266805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.266805 (E_RNA)
where:
Base-Base interactions energy: -87.592
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.783
local terms energy: -60.891869
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -87.033572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.033572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.033572 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -23.832
Base-Backbone interact. energy: -0.233
local terms energy: -47.802507
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: 1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -84.114894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.114894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.114894 (E_RNA)
where:
Base-Base interactions energy: -35.174
where: short stacking energy: -28.447
Base-Backbone interact. energy: 0.919
local terms energy: -49.859661
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -90.460123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.460123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.460123 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -23.146
Base-Backbone interact. energy: -0.309
local terms energy: -55.964753
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -79.368412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.368412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.368412 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.039
local terms energy: -47.121834
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -73.848744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.848744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.848744 (E_RNA)
where:
Base-Base interactions energy: -23.090
where: short stacking energy: -23.090
Base-Backbone interact. energy: -0.174
local terms energy: -50.585112
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -197.916965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.916965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.916965 (E_RNA)
where:
Base-Base interactions energy: -128.839
where: short stacking energy: -51.545
Base-Backbone interact. energy: -0.126
local terms energy: -68.952078
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -207.921714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.921714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.921714 (E_RNA)
where:
Base-Base interactions energy: -135.992
where: short stacking energy: -59.129
Base-Backbone interact. energy: -0.621
local terms energy: -71.308621
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -199.919453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.919453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.919453 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -59.520
Base-Backbone interact. energy: 0.354
local terms energy: -68.377632
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -152.774566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.774566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.774566 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -43.774
Base-Backbone interact. energy: 0.453
local terms energy: -66.787309
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -13.020
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: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -165.376785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.376785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.376785 (E_RNA)
where:
Base-Base interactions energy: -100.597
where: short stacking energy: -38.751
Base-Backbone interact. energy: -0.108
local terms energy: -64.671753
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -99.545469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.545469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.545469 (E_RNA)
where:
Base-Base interactions energy: -48.223
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.098
local terms energy: -51.224248
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -93.366974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.366974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.366974 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -22.141
Base-Backbone interact. energy: -0.209
local terms energy: -58.114270
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -76.461746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.461746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.461746 (E_RNA)
where:
Base-Base interactions energy: -24.288
where: short stacking energy: -24.288
Base-Backbone interact. energy: -0.064
local terms energy: -52.110049
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -88.186414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.186414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.186414 (E_RNA)
where:
Base-Base interactions energy: -48.590
where: short stacking energy: -34.839
Base-Backbone interact. energy: -0.033
local terms energy: -39.562923
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -6.173
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.676403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.676403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.676403 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.041
local terms energy: -42.294630
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -6.322
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -206.775721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.775721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.775721 (E_RNA)
where:
Base-Base interactions energy: -133.146
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.105
local terms energy: -73.524412
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -204.713719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.713719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.713719 (E_RNA)
where:
Base-Base interactions energy: -142.559
where: short stacking energy: -65.482
Base-Backbone interact. energy: -0.001
local terms energy: -62.153507
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -206.259291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.259291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259291 (E_RNA)
where:
Base-Base interactions energy: -135.455
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.000
local terms energy: -70.803469
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -18.427
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: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -176.000089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.000089 (E_RNA)
where:
Base-Base interactions energy: -117.633
where: short stacking energy: -46.586
Base-Backbone interact. energy: -0.124
local terms energy: -58.242567
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -146.103869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.103869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.103869 (E_RNA)
where:
Base-Base interactions energy: -82.260
where: short stacking energy: -43.184
Base-Backbone interact. energy: -0.073
local terms energy: -63.771548
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -11.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -105.028265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.028265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.028265 (E_RNA)
where:
Base-Base interactions energy: -53.053
where: short stacking energy: -39.658
Base-Backbone interact. energy: 4.347
local terms energy: -56.321839
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -3.919
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: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -76.724589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.724589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.724589 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -20.567
Base-Backbone interact. energy: -0.248
local terms energy: -39.357888
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -5.720
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -0.893
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: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -89.995099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.995099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.995099 (E_RNA)
where:
Base-Base interactions energy: -41.234
where: short stacking energy: -22.736
Base-Backbone interact. energy: 0.425
local terms energy: -49.185934
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -0.377
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: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -94.601757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.601757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.601757 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.847
local terms energy: -46.815444
where:
bonds (distance) C4'-P energy: -5.553
bonds (distance) P-C4' energy: -9.241
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -74.765829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.765829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.765829 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -27.968
Base-Backbone interact. energy: -0.106
local terms energy: -44.443532
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -2.452
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: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -214.145827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.145827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.145827 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.001
local terms energy: -72.638167
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -205.584415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.584415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.584415 (E_RNA)
where:
Base-Base interactions energy: -135.512
where: short stacking energy: -59.806
Base-Backbone interact. energy: -0.108
local terms energy: -69.964874
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -18.926
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: 124
Temperature: 1.000000
Total energy: -193.637529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.637529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637529 (E_RNA)
where:
Base-Base interactions energy: -126.300
where: short stacking energy: -69.848
Base-Backbone interact. energy: -0.555
local terms energy: -66.782652
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -187.343506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.343506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.343506 (E_RNA)
where:
Base-Base interactions energy: -128.119
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.252
local terms energy: -58.972567
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -98.611753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.611753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.611753 (E_RNA)
where:
Base-Base interactions energy: -44.956
where: short stacking energy: -27.366
Base-Backbone interact. energy: -1.385
local terms energy: -52.270069
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -2.870
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: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -142.465282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.465282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.465282 (E_RNA)
where:
Base-Base interactions energy: -91.094
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.234
local terms energy: -51.137339
where:
bonds (distance) C4'-P energy: -7.654
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -94.159934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.159934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.159934 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.282
local terms energy: -52.480764
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -97.899609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.899609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.899609 (E_RNA)
where:
Base-Base interactions energy: -57.949
where: short stacking energy: -31.195
Base-Backbone interact. energy: 0.366
local terms energy: -40.316646
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -2.623
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -77.445330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.445330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.445330 (E_RNA)
where:
Base-Base interactions energy: -30.252
where: short stacking energy: -14.254
Base-Backbone interact. energy: 0.347
local terms energy: -47.540386
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -86.819632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.819632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.819632 (E_RNA)
where:
Base-Base interactions energy: -49.803
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.781
local terms energy: -36.236147
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -5.812
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: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -206.056753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.056753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.056753 (E_RNA)
where:
Base-Base interactions energy: -131.017
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.596
local terms energy: -74.443981
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.841
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: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -208.165865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.165865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.165865 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -62.092
Base-Backbone interact. energy: 0.210
local terms energy: -71.043776
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -16.213
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: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -191.468598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468598 (E_RNA)
where:
Base-Base interactions energy: -122.986
where: short stacking energy: -58.751
Base-Backbone interact. energy: 0.043
local terms energy: -68.525049
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -164.531915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.531915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.531915 (E_RNA)
where:
Base-Base interactions energy: -105.791
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.723
local terms energy: -58.018185
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -10.720
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: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -142.836295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.836295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.836295 (E_RNA)
where:
Base-Base interactions energy: -86.687
where: short stacking energy: -39.545
Base-Backbone interact. energy: -0.011
local terms energy: -56.138492
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -143.881760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.881760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.881760 (E_RNA)
where:
Base-Base interactions energy: -87.334
where: short stacking energy: -41.631
Base-Backbone interact. energy: 0.473
local terms energy: -57.021429
where:
bonds (distance) C4'-P energy: -7.886
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -9.658
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: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -84.388423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.388423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.388423 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -17.639
Base-Backbone interact. energy: -0.236
local terms energy: -49.303654
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -86.522284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522284 (E_RNA)
where:
Base-Base interactions energy: -30.118
where: short stacking energy: -27.580
Base-Backbone interact. energy: 0.304
local terms energy: -56.707525
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -9.324
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: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -85.960270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.960270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.960270 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -21.380
Base-Backbone interact. energy: -0.231
local terms energy: -39.849029
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -4.164
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: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -71.065248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.065248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.065248 (E_RNA)
where:
Base-Base interactions energy: -28.793
where: short stacking energy: -16.410
Base-Backbone interact. energy: -0.503
local terms energy: -41.769190
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: 0.517
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: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -205.255886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.255886 (E_RNA)
where:
Base-Base interactions energy: -135.637
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.001
local terms energy: -69.618582
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -9.375
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -201.648709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.648709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.648709 (E_RNA)
where:
Base-Base interactions energy: -133.333
where: short stacking energy: -61.831
Base-Backbone interact. energy: -0.416
local terms energy: -67.899664
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -18.389
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: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -192.757986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.757986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.757986 (E_RNA)
where:
Base-Base interactions energy: -119.215
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.031
local terms energy: -73.511341
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -162.749134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.749134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.749134 (E_RNA)
where:
Base-Base interactions energy: -106.138
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.761
local terms energy: -55.850410
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.136
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: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -149.307199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.307199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.307199 (E_RNA)
where:
Base-Base interactions energy: -91.725
where: short stacking energy: -42.038
Base-Backbone interact. energy: -1.094
local terms energy: -56.487872
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.325
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: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -130.805367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.805367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.805367 (E_RNA)
where:
Base-Base interactions energy: -78.311
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.723
local terms energy: -51.771401
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -1.939
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -97.894353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.894353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.894353 (E_RNA)
where:
Base-Base interactions energy: -47.459
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.247
local terms energy: -50.187788
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -1.186
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: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -86.045482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.045482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.045482 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -33.387
Base-Backbone interact. energy: -1.179
local terms energy: -51.479286
where:
bonds (distance) C4'-P energy: -9.351
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -79.131985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.131985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.131985 (E_RNA)
where:
Base-Base interactions energy: -29.999
where: short stacking energy: -27.396
Base-Backbone interact. energy: -0.358
local terms energy: -48.774492
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -81.492593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.492593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.492593 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -26.153
Base-Backbone interact. energy: -0.169
local terms energy: -41.713890
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -7.086
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: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -209.310783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.310783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.310783 (E_RNA)
where:
Base-Base interactions energy: -131.687
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.335
local terms energy: -77.288838
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -10.340
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -211.340165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.340165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.340165 (E_RNA)
where:
Base-Base interactions energy: -139.377
where: short stacking energy: -66.011
Base-Backbone interact. energy: -0.001
local terms energy: -71.962079
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -9.057
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: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -199.387842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.387842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.387842 (E_RNA)
where:
Base-Base interactions energy: -132.347
where: short stacking energy: -53.910
Base-Backbone interact. energy: -0.001
local terms energy: -67.039578
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -173.714224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.714224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.714224 (E_RNA)
where:
Base-Base interactions energy: -106.154
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.015
local terms energy: -67.545022
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -7.474
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: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -143.574537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.574537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.574537 (E_RNA)
where:
Base-Base interactions energy: -84.109
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.007
local terms energy: -59.458802
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -6.787
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: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -106.707539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.707539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.707539 (E_RNA)
where:
Base-Base interactions energy: -56.186
where: short stacking energy: -44.238
Base-Backbone interact. energy: 0.086
local terms energy: -50.607862
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -113.532422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.532422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.532422 (E_RNA)
where:
Base-Base interactions energy: -62.204
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.038
local terms energy: -51.290053
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -75.491345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.491345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.491345 (E_RNA)
where:
Base-Base interactions energy: -28.048
where: short stacking energy: -25.584
Base-Backbone interact. energy: -0.444
local terms energy: -46.999786
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -2.947
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -79.968647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.968647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.968647 (E_RNA)
where:
Base-Base interactions energy: -29.599
where: short stacking energy: -29.599
Base-Backbone interact. energy: -0.136
local terms energy: -50.233798
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -71.541244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.541244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.541244 (E_RNA)
where:
Base-Base interactions energy: -26.466
where: short stacking energy: -19.022
Base-Backbone interact. energy: -0.100
local terms energy: -44.975405
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -8.948
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -217.540710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.540710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.540710 (E_RNA)
where:
Base-Base interactions energy: -141.465
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.002
local terms energy: -76.073976
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -18.690
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -189.033269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.033269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.033269 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.007
local terms energy: -66.416781
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.169
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: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -182.266651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.266651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.266651 (E_RNA)
where:
Base-Base interactions energy: -114.010
where: short stacking energy: -46.950
Base-Backbone interact. energy: -0.545
local terms energy: -67.711136
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -175.177404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.177404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.177404 (E_RNA)
where:
Base-Base interactions energy: -114.361
where: short stacking energy: -49.789
Base-Backbone interact. energy: 1.428
local terms energy: -62.244829
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -9.109
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: 128
Temperature: 1.100000
Total energy: -98.724042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.724042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.724042 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.105
local terms energy: -64.864600
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -137.744380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.744380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.744380 (E_RNA)
where:
Base-Base interactions energy: -88.753
where: short stacking energy: -42.422
Base-Backbone interact. energy: -0.106
local terms energy: -48.884619
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -7.458
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -110.521294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.521294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.521294 (E_RNA)
where:
Base-Base interactions energy: -63.944
where: short stacking energy: -31.347
Base-Backbone interact. energy: -1.141
local terms energy: -45.436235
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -80.973982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.973982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.973982 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -31.571
Base-Backbone interact. energy: 0.814
local terms energy: -37.903385
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -79.840289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.840289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.840289 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -23.231
Base-Backbone interact. energy: -0.193
local terms energy: -45.029947
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -1.750
tors. eta vs tors. theta energy: -6.019
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: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -72.970110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.970110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.970110 (E_RNA)
where:
Base-Base interactions energy: -26.497
where: short stacking energy: -23.801
Base-Backbone interact. energy: -0.200
local terms energy: -46.272776
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -6.083
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: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -210.520868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.520868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.520868 (E_RNA)
where:
Base-Base interactions energy: -140.383
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.000
local terms energy: -70.136977
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -7.425
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: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -203.831186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.831186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.831186 (E_RNA)
where:
Base-Base interactions energy: -138.340
where: short stacking energy: -49.239
Base-Backbone interact. energy: -0.332
local terms energy: -65.159292
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.083
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -198.612642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.612642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.612642 (E_RNA)
where:
Base-Base interactions energy: -134.218
where: short stacking energy: -59.063
Base-Backbone interact. energy: -0.281
local terms energy: -64.114237
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -167.441435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.441435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.441435 (E_RNA)
where:
Base-Base interactions energy: -101.661
where: short stacking energy: -52.959
Base-Backbone interact. energy: -0.211
local terms energy: -65.569715
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -95.586075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.586075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.586075 (E_RNA)
where:
Base-Base interactions energy: -45.904
where: short stacking energy: -38.293
Base-Backbone interact. energy: -0.028
local terms energy: -49.654447
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -89.433981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.433981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.433981 (E_RNA)
where:
Base-Base interactions energy: -30.565
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.155
local terms energy: -58.713912
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -7.415
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: 129
Temperature: 1.200000
Total energy: -135.545843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.545843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.545843 (E_RNA)
where:
Base-Base interactions energy: -81.586
where: short stacking energy: -47.626
Base-Backbone interact. energy: -0.053
local terms energy: -53.906718
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -81.350430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350430 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -26.472
Base-Backbone interact. energy: -0.198
local terms energy: -48.824414
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -1.538
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: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -81.617946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.617946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.617946 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.017
local terms energy: -47.133882
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -0.281
tors. eta vs tors. theta energy: -6.536
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: 129
Temperature: 1.350000
Total energy: -69.199195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.199195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.199195 (E_RNA)
where:
Base-Base interactions energy: -24.016
where: short stacking energy: -24.216
Base-Backbone interact. energy: -0.304
local terms energy: -44.879742
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -0.751
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: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -207.502047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.502047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.502047 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -50.862
Base-Backbone interact. energy: -0.043
local terms energy: -67.845776
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -206.887250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.887250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.887250 (E_RNA)
where:
Base-Base interactions energy: -132.694
where: short stacking energy: -59.500
Base-Backbone interact. energy: -0.084
local terms energy: -74.109642
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -190.546599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.546599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.546599 (E_RNA)
where:
Base-Base interactions energy: -125.839
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.157
local terms energy: -64.550492
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -170.837072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.837072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.837072 (E_RNA)
where:
Base-Base interactions energy: -106.472
where: short stacking energy: -48.299
Base-Backbone interact. energy: -0.110
local terms energy: -64.255150
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -104.200377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.200377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.200377 (E_RNA)
where:
Base-Base interactions energy: -48.293
where: short stacking energy: -23.068
Base-Backbone interact. energy: -0.074
local terms energy: -55.833692
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: 0.604
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: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -85.958051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.958051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.958051 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.121
local terms energy: -53.172516
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -2.151
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: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -91.731585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.731585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.731585 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.242
local terms energy: -44.550431
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -0.969
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -120.173057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.173057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.173057 (E_RNA)
where:
Base-Base interactions energy: -66.383
where: short stacking energy: -35.515
Base-Backbone interact. energy: 1.106
local terms energy: -54.895510
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -10.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -74.293918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.293918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.293918 (E_RNA)
where:
Base-Base interactions energy: -20.760
where: short stacking energy: -20.760
Base-Backbone interact. energy: -0.023
local terms energy: -53.511372
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -69.998817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.998817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.998817 (E_RNA)
where:
Base-Base interactions energy: -24.294
where: short stacking energy: -24.294
Base-Backbone interact. energy: -0.185
local terms energy: -45.520060
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -215.648534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.648534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.648534 (E_RNA)
where:
Base-Base interactions energy: -148.204
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.019
local terms energy: -67.425444
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -203.638956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.638956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.638956 (E_RNA)
where:
Base-Base interactions energy: -133.258
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.001
local terms energy: -70.379537
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -17.862
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: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -209.870019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870019 (E_RNA)
where:
Base-Base interactions energy: -136.235
where: short stacking energy: -55.764
Base-Backbone interact. energy: -0.707
local terms energy: -72.927895
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -170.671274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.671274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.671274 (E_RNA)
where:
Base-Base interactions energy: -102.357
where: short stacking energy: -44.973
Base-Backbone interact. energy: 1.572
local terms energy: -69.886630
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.360
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: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -105.073008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.073008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.073008 (E_RNA)
where:
Base-Base interactions energy: -42.481
where: short stacking energy: -36.832
Base-Backbone interact. energy: -0.026
local terms energy: -62.565961
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -100.653844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.653844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.653844 (E_RNA)
where:
Base-Base interactions energy: -50.261
where: short stacking energy: -26.211
Base-Backbone interact. energy: 0.184
local terms energy: -50.576650
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -89.060923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.060923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.060923 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -34.363
Base-Backbone interact. energy: 1.508
local terms energy: -51.736180
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -107.147296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.147296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.147296 (E_RNA)
where:
Base-Base interactions energy: -57.279
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.112
local terms energy: -49.756095
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -9.846
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: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -87.541324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541324 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -35.505
Base-Backbone interact. energy: 1.091
local terms energy: -53.127026
where:
bonds (distance) C4'-P energy: -8.126
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -7.155
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: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -76.808970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.808970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.808970 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -34.223
Base-Backbone interact. energy: -0.209
local terms energy: -36.312006
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -5.681
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -206.995063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.995063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.995063 (E_RNA)
where:
Base-Base interactions energy: -137.017
where: short stacking energy: -54.879
Base-Backbone interact. energy: -0.047
local terms energy: -69.931412
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -207.710040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.710040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.710040 (E_RNA)
where:
Base-Base interactions energy: -141.612
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.346
local terms energy: -65.752398
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -205.728333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.728333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.728333 (E_RNA)
where:
Base-Base interactions energy: -132.270
where: short stacking energy: -56.562
Base-Backbone interact. energy: -0.655
local terms energy: -72.803143
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -19.796
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: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -158.523238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.523238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.523238 (E_RNA)
where:
Base-Base interactions energy: -106.750
where: short stacking energy: -35.973
Base-Backbone interact. energy: -0.141
local terms energy: -51.631905
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -137.849352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.849352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.849352 (E_RNA)
where:
Base-Base interactions energy: -81.803
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.047
local terms energy: -55.999342
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -105.815477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.815477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.815477 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.076
local terms energy: -63.702634
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -12.896
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: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -85.781618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.781618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.781618 (E_RNA)
where:
Base-Base interactions energy: -36.776
where: short stacking energy: -31.463
Base-Backbone interact. energy: 0.384
local terms energy: -49.389624
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -2.519
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: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -88.815042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.815042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.815042 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -35.446
Base-Backbone interact. energy: -0.453
local terms energy: -52.545196
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -5.901
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: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -74.046217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.046217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.046217 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -27.079
Base-Backbone interact. energy: 0.261
local terms energy: -43.238439
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -2.051
tors. eta vs tors. theta energy: -5.984
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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -87.942359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.942359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.942359 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -27.401
Base-Backbone interact. energy: -0.110
local terms energy: -54.574597
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -4.087
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: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -207.070147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.070147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.070147 (E_RNA)
where:
Base-Base interactions energy: -134.136
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.088
local terms energy: -72.846201
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -204.911969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.911969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.911969 (E_RNA)
where:
Base-Base interactions energy: -133.195
where: short stacking energy: -44.344
Base-Backbone interact. energy: -0.704
local terms energy: -71.012672
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -202.107959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.107959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.107959 (E_RNA)
where:
Base-Base interactions energy: -131.527
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.068
local terms energy: -70.513385
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -154.746105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.746105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.746105 (E_RNA)
where:
Base-Base interactions energy: -101.731
where: short stacking energy: -41.240
Base-Backbone interact. energy: -0.135
local terms energy: -52.880127
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -5.009
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: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -114.686424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.686424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.686424 (E_RNA)
where:
Base-Base interactions energy: -61.577
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.632
local terms energy: -52.477168
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -98.191131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.191131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.191131 (E_RNA)
where:
Base-Base interactions energy: -34.848
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.018
local terms energy: -63.325974
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -9.471
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: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -91.027216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027216 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.250
local terms energy: -44.098809
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -9.874
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: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -94.015853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015853 (E_RNA)
where:
Base-Base interactions energy: -44.778
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.138
local terms energy: -49.100355
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -6.818
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -10.263
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: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -78.814344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.814344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.814344 (E_RNA)
where:
Base-Base interactions energy: -31.504
where: short stacking energy: -25.971
Base-Backbone interact. energy: 0.096
local terms energy: -47.407045
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -10.676
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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -74.703592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.703592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.703592 (E_RNA)
where:
Base-Base interactions energy: -28.916
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.107
local terms energy: -45.680697
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -5.622
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -7.812
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: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -207.584842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.584842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.584842 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -50.261
Base-Backbone interact. energy: -0.086
local terms energy: -68.757642
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -204.236621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.236621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.236621 (E_RNA)
where:
Base-Base interactions energy: -132.802
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.156
local terms energy: -71.278533
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -202.568919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.568919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.568919 (E_RNA)
where:
Base-Base interactions energy: -132.650
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.404
local terms energy: -69.514424
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -166.881152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.881152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.881152 (E_RNA)
where:
Base-Base interactions energy: -112.707
where: short stacking energy: -42.646
Base-Backbone interact. energy: -0.078
local terms energy: -54.096765
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -3.376
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -93.466984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.466984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.466984 (E_RNA)
where:
Base-Base interactions energy: -34.659
where: short stacking energy: -31.214
Base-Backbone interact. energy: -0.176
local terms energy: -58.631931
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -111.746858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.746858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.746858 (E_RNA)
where:
Base-Base interactions energy: -54.079
where: short stacking energy: -39.004
Base-Backbone interact. energy: -0.312
local terms energy: -57.356143
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -114.892770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.892770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.892770 (E_RNA)
where:
Base-Base interactions energy: -56.124
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.056
local terms energy: -58.713137
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -94.724941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.724941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.724941 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -38.497
Base-Backbone interact. energy: -0.103
local terms energy: -52.866750
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -7.370
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: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -77.524821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.524821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.524821 (E_RNA)
where:
Base-Base interactions energy: -26.237
where: short stacking energy: -12.364
Base-Backbone interact. energy: -0.138
local terms energy: -51.149657
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -78.575166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.575166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.575166 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -17.931
Base-Backbone interact. energy: 0.989
local terms energy: -48.259440
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: 0.886
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -206.498503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.498503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.498503 (E_RNA)
where:
Base-Base interactions energy: -138.517
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.135
local terms energy: -67.845994
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -199.289062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.289062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.289062 (E_RNA)
where:
Base-Base interactions energy: -132.012
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.113
local terms energy: -67.163692
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -201.791393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.791393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.791393 (E_RNA)
where:
Base-Base interactions energy: -129.089
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.093
local terms energy: -72.609425
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -160.449517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.449517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.449517 (E_RNA)
where:
Base-Base interactions energy: -102.856
where: short stacking energy: -39.869
Base-Backbone interact. energy: -0.510
local terms energy: -57.083991
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -99.869184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.869184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.869184 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -40.548
Base-Backbone interact. energy: -0.038
local terms energy: -50.958563
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -8.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -92.917312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.917312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.917312 (E_RNA)
where:
Base-Base interactions energy: -42.647
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.140
local terms energy: -50.129601
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -109.022421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.022421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.022421 (E_RNA)
where:
Base-Base interactions energy: -59.281
where: short stacking energy: -28.033
Base-Backbone interact. energy: 0.679
local terms energy: -50.420221
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -11.077
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: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -96.261152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.261152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.261152 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -42.942
Base-Backbone interact. energy: -0.094
local terms energy: -53.225639
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -9.120
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: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -68.855560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.855560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.855560 (E_RNA)
where:
Base-Base interactions energy: -25.334
where: short stacking energy: -13.783
Base-Backbone interact. energy: -0.070
local terms energy: -43.451036
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -73.286257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.286257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.286257 (E_RNA)
where:
Base-Base interactions energy: -24.631
where: short stacking energy: -24.631
Base-Backbone interact. energy: 1.219
local terms energy: -49.873512
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -5.323
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: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -201.202746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.202746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.202746 (E_RNA)
where:
Base-Base interactions energy: -131.659
where: short stacking energy: -63.458
Base-Backbone interact. energy: -0.001
local terms energy: -69.542282
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -208.342996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342996 (E_RNA)
where:
Base-Base interactions energy: -141.070
where: short stacking energy: -51.375
Base-Backbone interact. energy: -0.041
local terms energy: -67.231939
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -12.372
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: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -200.408609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.408609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.408609 (E_RNA)
where:
Base-Base interactions energy: -133.351
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.002
local terms energy: -67.055599
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -177.775564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.775564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.775564 (E_RNA)
where:
Base-Base interactions energy: -112.866
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.152
local terms energy: -64.758421
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -107.583350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.583350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.583350 (E_RNA)
where:
Base-Base interactions energy: -50.070
where: short stacking energy: -33.264
Base-Backbone interact. energy: -0.299
local terms energy: -57.214573
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -93.878841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.878841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.878841 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -33.815
Base-Backbone interact. energy: -0.118
local terms energy: -58.501030
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -7.061
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: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -102.820770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.820770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.820770 (E_RNA)
where:
Base-Base interactions energy: -49.797
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.321
local terms energy: -52.703169
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -79.987313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.987313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.987313 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.144
local terms energy: -44.375716
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -67.210030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.210030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.210030 (E_RNA)
where:
Base-Base interactions energy: -21.553
where: short stacking energy: -19.089
Base-Backbone interact. energy: -0.110
local terms energy: -45.546736
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -77.784262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.784262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.784262 (E_RNA)
where:
Base-Base interactions energy: -25.814
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.069
local terms energy: -51.900927
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -210.123822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.123822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.123822 (E_RNA)
where:
Base-Base interactions energy: -137.063
where: short stacking energy: -64.652
Base-Backbone interact. energy: 0.431
local terms energy: -73.491645
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -194.870501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.870501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.870501 (E_RNA)
where:
Base-Base interactions energy: -126.935
where: short stacking energy: -58.520
Base-Backbone interact. energy: 0.281
local terms energy: -68.215873
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -18.265
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: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -200.865956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.865956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.865956 (E_RNA)
where:
Base-Base interactions energy: -129.964
where: short stacking energy: -43.101
Base-Backbone interact. energy: -0.299
local terms energy: -70.603150
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -172.085162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.085162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.085162 (E_RNA)
where:
Base-Base interactions energy: -119.070
where: short stacking energy: -66.619
Base-Backbone interact. energy: -0.004
local terms energy: -53.011154
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: 2.551
tors. eta vs tors. theta energy: -15.865
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: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -100.855370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.855370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.855370 (E_RNA)
where:
Base-Base interactions energy: -47.479
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.005
local terms energy: -53.371410
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -8.140
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: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -82.918960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.918960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.918960 (E_RNA)
where:
Base-Base interactions energy: -33.351
where: short stacking energy: -25.283
Base-Backbone interact. energy: 0.452
local terms energy: -50.020119
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -5.379
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: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -100.337799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.337799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.337799 (E_RNA)
where:
Base-Base interactions energy: -48.977
where: short stacking energy: -48.977
Base-Backbone interact. energy: -0.007
local terms energy: -51.354260
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -6.482
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: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -79.379397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.379397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.379397 (E_RNA)
where:
Base-Base interactions energy: -31.464
where: short stacking energy: -13.162
Base-Backbone interact. energy: -0.634
local terms energy: -47.281225
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: 2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -69.499566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.499566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.499566 (E_RNA)
where:
Base-Base interactions energy: -24.266
where: short stacking energy: -14.256
Base-Backbone interact. energy: -0.318
local terms energy: -44.915467
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: 3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -74.411043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.411043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.411043 (E_RNA)
where:
Base-Base interactions energy: -22.665
where: short stacking energy: -19.119
Base-Backbone interact. energy: 0.612
local terms energy: -52.358338
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -215.970458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970458 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.046
local terms energy: -69.712455
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -2.975
tors. eta vs tors. theta energy: -22.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -196.687966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.687966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.687966 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.000
local terms energy: -74.595399
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -173.155279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.155279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.155279 (E_RNA)
where:
Base-Base interactions energy: -107.230
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.009
local terms energy: -65.916745
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -166.545906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.545906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.545906 (E_RNA)
where:
Base-Base interactions energy: -110.534
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.200
local terms energy: -55.812388
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -4.987
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: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -93.742695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.742695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.742695 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -40.438
Base-Backbone interact. energy: 0.115
local terms energy: -53.420441
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -83.267566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267566 (E_RNA)
where:
Base-Base interactions energy: -35.272
where: short stacking energy: -35.272
Base-Backbone interact. energy: 0.385
local terms energy: -48.380076
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -79.026607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.026607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.026607 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.412
local terms energy: -43.826948
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -84.518507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.518507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.518507 (E_RNA)
where:
Base-Base interactions energy: -49.761
where: short stacking energy: -24.933
Base-Backbone interact. energy: 0.214
local terms energy: -34.971603
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -6.133
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -78.863444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.863444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.863444 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.054
local terms energy: -43.384280
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -4.027
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: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -90.476575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.476575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.476575 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.092
local terms energy: -40.151132
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -5.756
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: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -208.974409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.974409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.974409 (E_RNA)
where:
Base-Base interactions energy: -142.690
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.024
local terms energy: -66.259918
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -8.794
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: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -199.814430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.814430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.814430 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.133
local terms energy: -67.320233
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -7.574
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: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -184.781779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.781779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.781779 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -55.580
Base-Backbone interact. energy: -0.590
local terms energy: -65.701857
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -164.284297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.284297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.284297 (E_RNA)
where:
Base-Base interactions energy: -103.843
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.274
local terms energy: -60.166733
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -4.528
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -112.639442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.639442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.639442 (E_RNA)
where:
Base-Base interactions energy: -53.769
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.927
local terms energy: -57.943371
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -89.147965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147965 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.295
local terms energy: -55.107417
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -6.677
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: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -89.231004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.231004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.231004 (E_RNA)
where:
Base-Base interactions energy: -39.558
where: short stacking energy: -34.132
Base-Backbone interact. energy: -0.212
local terms energy: -49.460934
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -86.880858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.880858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.880858 (E_RNA)
where:
Base-Base interactions energy: -47.621
where: short stacking energy: -23.546
Base-Backbone interact. energy: -0.938
local terms energy: -38.322106
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: 4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -79.799119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.799119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.799119 (E_RNA)
where:
Base-Base interactions energy: -36.107
where: short stacking energy: -23.860
Base-Backbone interact. energy: -0.269
local terms energy: -43.422869
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -74.789745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.789745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.789745 (E_RNA)
where:
Base-Base interactions energy: -27.382
where: short stacking energy: -25.914
Base-Backbone interact. energy: -1.489
local terms energy: -45.918913
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -1.557
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -208.571403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.571403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.571403 (E_RNA)
where:
Base-Base interactions energy: -139.234
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.074
local terms energy: -69.263501
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -18.450
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: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -204.364000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.364000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.364000 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.000
local terms energy: -71.580592
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -169.728000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.728000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.728000 (E_RNA)
where:
Base-Base interactions energy: -107.586
where: short stacking energy: -48.499
Base-Backbone interact. energy: -0.197
local terms energy: -61.945241
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.516
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: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -161.763705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.763705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.763705 (E_RNA)
where:
Base-Base interactions energy: -103.489
where: short stacking energy: -46.899
Base-Backbone interact. energy: -0.135
local terms energy: -58.139239
where:
bonds (distance) C4'-P energy: -5.929
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -124.005724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.005724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.005724 (E_RNA)
where:
Base-Base interactions energy: -73.043
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.100
local terms energy: -50.862772
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -10.885
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: 140
Temperature: 1.150000
Total energy: -82.790577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.790577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.790577 (E_RNA)
where:
Base-Base interactions energy: -27.005
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.171
local terms energy: -55.614891
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -91.266144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.266144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.266144 (E_RNA)
where:
Base-Base interactions energy: -48.135
where: short stacking energy: -35.151
Base-Backbone interact. energy: -0.222
local terms energy: -42.909103
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -0.531
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: 140
Temperature: 1.250000
Total energy: -92.420364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.420364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.420364 (E_RNA)
where:
Base-Base interactions energy: -42.115
where: short stacking energy: -33.266
Base-Backbone interact. energy: -0.073
local terms energy: -50.232526
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -2.561
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: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -77.336038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.336038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.336038 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.392
local terms energy: -48.976385
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -70.247569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.247569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.247569 (E_RNA)
where:
Base-Base interactions energy: -21.706
where: short stacking energy: -20.736
Base-Backbone interact. energy: 2.141
local terms energy: -50.681959
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -201.129167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.129167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.129167 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -61.755
Base-Backbone interact. energy: -0.591
local terms energy: -76.505261
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -187.898088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.898088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.898088 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -52.472
Base-Backbone interact. energy: -0.103
local terms energy: -56.132414
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.749
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: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -180.172668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.172668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.172668 (E_RNA)
where:
Base-Base interactions energy: -115.980
where: short stacking energy: -49.433
Base-Backbone interact. energy: -0.156
local terms energy: -64.036642
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -163.683618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.683618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.683618 (E_RNA)
where:
Base-Base interactions energy: -102.474
where: short stacking energy: -45.026
Base-Backbone interact. energy: -0.046
local terms energy: -61.163456
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -8.423
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -153.758428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.758428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.758428 (E_RNA)
where:
Base-Base interactions energy: -93.014
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.561
local terms energy: -60.183118
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -99.699004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.699004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.699004 (E_RNA)
where:
Base-Base interactions energy: -40.478
where: short stacking energy: -35.477
Base-Backbone interact. energy: -0.021
local terms energy: -59.200621
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -7.446
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: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -144.125542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.125542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.125542 (E_RNA)
where:
Base-Base interactions energy: -91.384
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.107
local terms energy: -52.634989
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -83.078156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.078156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.078156 (E_RNA)
where:
Base-Base interactions energy: -28.380
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.016
local terms energy: -54.682331
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: 0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -74.207230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.207230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.207230 (E_RNA)
where:
Base-Base interactions energy: -29.267
where: short stacking energy: -28.983
Base-Backbone interact. energy: 1.734
local terms energy: -46.674414
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -73.358491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.358491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.358491 (E_RNA)
where:
Base-Base interactions energy: -26.282
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.069
local terms energy: -47.007401
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -211.660886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.660886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.660886 (E_RNA)
where:
Base-Base interactions energy: -139.015
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.044
local terms energy: -72.602540
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -170.212905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.212905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.212905 (E_RNA)
where:
Base-Base interactions energy: -115.704
where: short stacking energy: -53.667
Base-Backbone interact. energy: -0.004
local terms energy: -54.504231
where:
bonds (distance) C4'-P energy: -5.881
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -180.489945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.489945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.489945 (E_RNA)
where:
Base-Base interactions energy: -112.604
where: short stacking energy: -50.619
Base-Backbone interact. energy: -0.225
local terms energy: -67.661062
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -169.156862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.156862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.156862 (E_RNA)
where:
Base-Base interactions energy: -107.432
where: short stacking energy: -45.880
Base-Backbone interact. energy: -0.049
local terms energy: -61.675614
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -149.138322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.138322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.138322 (E_RNA)
where:
Base-Base interactions energy: -92.277
where: short stacking energy: -45.271
Base-Backbone interact. energy: 1.506
local terms energy: -58.366929
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -4.394
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: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -92.772016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.772016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.772016 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.101
local terms energy: -56.636494
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -165.670971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.670971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.670971 (E_RNA)
where:
Base-Base interactions energy: -106.429
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.843
local terms energy: -58.399001
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -70.081730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.081730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.081730 (E_RNA)
where:
Base-Base interactions energy: -27.662
where: short stacking energy: -15.552
Base-Backbone interact. energy: 0.585
local terms energy: -43.005093
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: 4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -79.072338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.072338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.072338 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -20.454
Base-Backbone interact. energy: -0.231
local terms energy: -39.656443
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -72.721773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.721773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.721773 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -25.428
Base-Backbone interact. energy: -0.211
local terms energy: -44.956613
where:
bonds (distance) C4'-P energy: -6.529
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -206.018875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.018875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.018875 (E_RNA)
where:
Base-Base interactions energy: -134.674
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.000
local terms energy: -71.344851
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -175.872363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.872363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.872363 (E_RNA)
where:
Base-Base interactions energy: -108.741
where: short stacking energy: -42.572
Base-Backbone interact. energy: -0.744
local terms energy: -66.387395
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -10.270
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: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -177.750216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.750216 (E_RNA)
where:
Base-Base interactions energy: -115.670
where: short stacking energy: -53.980
Base-Backbone interact. energy: -0.164
local terms energy: -61.916187
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -166.254916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.254916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.254916 (E_RNA)
where:
Base-Base interactions energy: -98.463
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.010
local terms energy: -67.782162
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.521
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: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -161.741734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.741734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.741734 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -48.912
Base-Backbone interact. energy: -0.327
local terms energy: -52.371464
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -4.430
tors. eta vs tors. theta energy: -9.181
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: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -145.589949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.589949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.589949 (E_RNA)
where:
Base-Base interactions energy: -88.335
where: short stacking energy: -39.626
Base-Backbone interact. energy: -0.438
local terms energy: -56.816970
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -10.336
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: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -97.314946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314946 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -29.045
Base-Backbone interact. energy: -0.050
local terms energy: -57.423559
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -78.389908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.389908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.389908 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -17.377
Base-Backbone interact. energy: -1.833
local terms energy: -38.889488
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: 4.418
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: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -78.013849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.013849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.013849 (E_RNA)
where:
Base-Base interactions energy: -28.003
where: short stacking energy: -24.223
Base-Backbone interact. energy: -0.149
local terms energy: -49.861375
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -82.970727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.970727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.970727 (E_RNA)
where:
Base-Base interactions energy: -46.386
where: short stacking energy: -21.536
Base-Backbone interact. energy: -0.346
local terms energy: -36.238384
where:
bonds (distance) C4'-P energy: -6.811
bonds (distance) P-C4' energy: -8.861
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -1.071
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: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -212.826943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.826943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.826943 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.002
local terms energy: -78.049392
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -183.353526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.353526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.353526 (E_RNA)
where:
Base-Base interactions energy: -116.456
where: short stacking energy: -53.304
Base-Backbone interact. energy: 0.701
local terms energy: -67.598048
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.680
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: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -179.170158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.170158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.170158 (E_RNA)
where:
Base-Base interactions energy: -111.503
where: short stacking energy: -52.858
Base-Backbone interact. energy: 0.920
local terms energy: -68.587338
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -179.694083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694083 (E_RNA)
where:
Base-Base interactions energy: -115.956
where: short stacking energy: -49.158
Base-Backbone interact. energy: 0.127
local terms energy: -63.864582
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -152.249414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.249414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.249414 (E_RNA)
where:
Base-Base interactions energy: -98.299
where: short stacking energy: -39.876
Base-Backbone interact. energy: -0.018
local terms energy: -53.932339
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -137.213485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.213485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.213485 (E_RNA)
where:
Base-Base interactions energy: -88.170
where: short stacking energy: -41.195
Base-Backbone interact. energy: 0.246
local terms energy: -49.289451
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -6.835
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: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -93.896024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.896024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.896024 (E_RNA)
where:
Base-Base interactions energy: -47.624
where: short stacking energy: -24.777
Base-Backbone interact. energy: 0.534
local terms energy: -46.805784
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -7.254
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: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -101.712316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.712316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.712316 (E_RNA)
where:
Base-Base interactions energy: -52.946
where: short stacking energy: -21.991
Base-Backbone interact. energy: -0.776
local terms energy: -47.990362
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.205
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -88.153802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.153802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.153802 (E_RNA)
where:
Base-Base interactions energy: -38.572
where: short stacking energy: -35.623
Base-Backbone interact. energy: -1.093
local terms energy: -48.488815
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -3.282
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: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -109.747690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.747690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.747690 (E_RNA)
where:
Base-Base interactions energy: -54.269
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.087
local terms energy: -55.391440
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -201.688724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.688724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.688724 (E_RNA)
where:
Base-Base interactions energy: -127.019
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.001
local terms energy: -74.668561
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -184.130026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.130026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.130026 (E_RNA)
where:
Base-Base interactions energy: -114.358
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.006
local terms energy: -69.765894
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -177.086487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.086487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.086487 (E_RNA)
where:
Base-Base interactions energy: -112.045
where: short stacking energy: -49.783
Base-Backbone interact. energy: -0.178
local terms energy: -64.863073
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -185.746165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.746165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.746165 (E_RNA)
where:
Base-Base interactions energy: -124.879
where: short stacking energy: -53.548
Base-Backbone interact. energy: -0.007
local terms energy: -60.860695
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -7.199
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: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -142.128296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.128296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.128296 (E_RNA)
where:
Base-Base interactions energy: -78.993
where: short stacking energy: -44.331
Base-Backbone interact. energy: 0.883
local terms energy: -64.017992
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -127.523690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523690 (E_RNA)
where:
Base-Base interactions energy: -77.287
where: short stacking energy: -30.657
Base-Backbone interact. energy: -0.329
local terms energy: -49.907663
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -7.827
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: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -122.394270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.394270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.394270 (E_RNA)
where:
Base-Base interactions energy: -70.236
where: short stacking energy: -26.736
Base-Backbone interact. energy: -0.061
local terms energy: -52.098204
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -0.552
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: 145
Temperature: 1.250000
Total energy: -169.221815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.221815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.221815 (E_RNA)
where:
Base-Base interactions energy: -110.130
where: short stacking energy: -49.007
Base-Backbone interact. energy: -0.231
local terms energy: -58.860844
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -78.328652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.328652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.328652 (E_RNA)
where:
Base-Base interactions energy: -25.088
where: short stacking energy: -25.088
Base-Backbone interact. energy: -0.047
local terms energy: -53.193166
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -6.422
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: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -68.118757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.118757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.118757 (E_RNA)
where:
Base-Base interactions energy: -23.665
where: short stacking energy: -12.300
Base-Backbone interact. energy: -0.496
local terms energy: -43.957752
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: 4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -209.058209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058209 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.053
local terms energy: -72.754824
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -180.078140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.078140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.078140 (E_RNA)
where:
Base-Base interactions energy: -115.190
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.011
local terms energy: -64.877278
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -14.361
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: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -187.315960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.315960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.315960 (E_RNA)
where:
Base-Base interactions energy: -119.740
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.100
local terms energy: -67.476023
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -176.065409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065409 (E_RNA)
where:
Base-Base interactions energy: -113.517
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.014
local terms energy: -62.534848
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -10.856
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: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -123.414072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.414072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.414072 (E_RNA)
where:
Base-Base interactions energy: -61.941
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.158
local terms energy: -61.315736
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -7.892
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: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -137.640955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.640955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.640955 (E_RNA)
where:
Base-Base interactions energy: -90.888
where: short stacking energy: -44.581
Base-Backbone interact. energy: -0.077
local terms energy: -46.675575
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -145.657250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.657250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.657250 (E_RNA)
where:
Base-Base interactions energy: -84.702
where: short stacking energy: -40.614
Base-Backbone interact. energy: -0.002
local terms energy: -60.953974
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -4.029
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -13.846
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: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -111.857064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.857064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.857064 (E_RNA)
where:
Base-Base interactions energy: -57.687
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.068
local terms energy: -54.101557
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -69.405738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.405738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.405738 (E_RNA)
where:
Base-Base interactions energy: -28.076
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.272
local terms energy: -41.057850
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -2.145
tors. eta vs tors. theta energy: 1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -73.314704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.314704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.314704 (E_RNA)
where:
Base-Base interactions energy: -32.376
where: short stacking energy: -24.098
Base-Backbone interact. energy: -0.101
local terms energy: -40.837433
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -2.941
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -208.451054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.451054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.451054 (E_RNA)
where:
Base-Base interactions energy: -129.627
where: short stacking energy: -53.501
Base-Backbone interact. energy: -0.160
local terms energy: -78.664310
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -201.439960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.439960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.439960 (E_RNA)
where:
Base-Base interactions energy: -133.680
where: short stacking energy: -66.490
Base-Backbone interact. energy: -0.006
local terms energy: -67.753915
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.891
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: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -170.967061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.967061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.967061 (E_RNA)
where:
Base-Base interactions energy: -103.606
where: short stacking energy: -47.830
Base-Backbone interact. energy: -0.106
local terms energy: -67.254577
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -180.680982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.680982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.680982 (E_RNA)
where:
Base-Base interactions energy: -113.313
where: short stacking energy: -52.794
Base-Backbone interact. energy: -0.260
local terms energy: -67.108018
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -120.324224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.324224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.324224 (E_RNA)
where:
Base-Base interactions energy: -60.406
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.074
local terms energy: -59.844033
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -10.096
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: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -116.431050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.431050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.431050 (E_RNA)
where:
Base-Base interactions energy: -59.333
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.042
local terms energy: -57.056361
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -9.259
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -118.314925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.314925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.314925 (E_RNA)
where:
Base-Base interactions energy: -62.785
where: short stacking energy: -36.585
Base-Backbone interact. energy: -0.111
local terms energy: -55.419166
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -5.276
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: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -124.525613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.525613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.525613 (E_RNA)
where:
Base-Base interactions energy: -80.090
where: short stacking energy: -36.746
Base-Backbone interact. energy: -0.107
local terms energy: -44.329258
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -1.215
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -93.003238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.003238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.003238 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -24.978
Base-Backbone interact. energy: -0.010
local terms energy: -60.259138
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -76.078121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.078121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.078121 (E_RNA)
where:
Base-Base interactions energy: -27.501
where: short stacking energy: -20.697
Base-Backbone interact. energy: -0.274
local terms energy: -48.303302
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -209.001978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.001978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.001978 (E_RNA)
where:
Base-Base interactions energy: -141.217
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.003
local terms energy: -67.781775
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -205.766341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.766341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.766341 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.053
local terms energy: -72.789729
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -172.000227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.000227 (E_RNA)
where:
Base-Base interactions energy: -109.780
where: short stacking energy: -52.891
Base-Backbone interact. energy: 0.527
local terms energy: -62.746976
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -154.924861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.924861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.924861 (E_RNA)
where:
Base-Base interactions energy: -96.129
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.060
local terms energy: -58.736002
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -116.865050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.865050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.865050 (E_RNA)
where:
Base-Base interactions energy: -62.883
where: short stacking energy: -40.473
Base-Backbone interact. energy: -0.001
local terms energy: -53.980902
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -88.941670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941670 (E_RNA)
where:
Base-Base interactions energy: -41.942
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.483
local terms energy: -46.516211
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -116.039512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.039512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.039512 (E_RNA)
where:
Base-Base interactions energy: -72.770
where: short stacking energy: -24.847
Base-Backbone interact. energy: 3.427
local terms energy: -46.696840
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -107.462814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.462814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.462814 (E_RNA)
where:
Base-Base interactions energy: -58.781
where: short stacking energy: -29.554
Base-Backbone interact. energy: -0.521
local terms energy: -48.160354
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -77.717074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717074 (E_RNA)
where:
Base-Base interactions energy: -25.450
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.284
local terms energy: -51.983630
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -4.157
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: 148
Temperature: 1.350000
Total energy: -89.647572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.647572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.647572 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -30.094
Base-Backbone interact. energy: -0.550
local terms energy: -59.003087
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -0.949
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -207.399344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.399344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.399344 (E_RNA)
where:
Base-Base interactions energy: -137.215
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.085
local terms energy: -70.099549
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -19.693
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: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -198.049238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.049238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.049238 (E_RNA)
where:
Base-Base interactions energy: -130.530
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.001
local terms energy: -67.518433
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -182.625775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.625775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.625775 (E_RNA)
where:
Base-Base interactions energy: -119.668
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.114
local terms energy: -62.843654
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -141.146282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.146282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.146282 (E_RNA)
where:
Base-Base interactions energy: -74.695
where: short stacking energy: -45.670
Base-Backbone interact. energy: -0.426
local terms energy: -66.025859
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -146.372099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.372099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.372099 (E_RNA)
where:
Base-Base interactions energy: -90.756
where: short stacking energy: -42.759
Base-Backbone interact. energy: -0.002
local terms energy: -55.613906
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -148.751200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.751200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.751200 (E_RNA)
where:
Base-Base interactions energy: -86.684
where: short stacking energy: -38.893
Base-Backbone interact. energy: -1.220
local terms energy: -60.846332
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -84.927431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.927431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.927431 (E_RNA)
where:
Base-Base interactions energy: -30.293
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.002
local terms energy: -54.632608
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -91.982959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.982959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.982959 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.109
local terms energy: -60.679337
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -13.268
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: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -82.411018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.411018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.411018 (E_RNA)
where:
Base-Base interactions energy: -34.222
where: short stacking energy: -30.870
Base-Backbone interact. energy: 0.443
local terms energy: -48.632064
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -2.330
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -79.376992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.376992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.376992 (E_RNA)
where:
Base-Base interactions energy: -32.754
where: short stacking energy: -28.432
Base-Backbone interact. energy: -0.486
local terms energy: -46.136600
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -8.004
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: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -209.673057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.673057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.673057 (E_RNA)
where:
Base-Base interactions energy: -136.012
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.580
local terms energy: -73.081174
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -199.910011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.910011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.910011 (E_RNA)
where:
Base-Base interactions energy: -124.592
where: short stacking energy: -57.159
Base-Backbone interact. energy: -0.087
local terms energy: -75.230292
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -167.676360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.676360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.676360 (E_RNA)
where:
Base-Base interactions energy: -100.713
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.361
local terms energy: -66.601915
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -138.814524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.814524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.814524 (E_RNA)
where:
Base-Base interactions energy: -86.486
where: short stacking energy: -43.049
Base-Backbone interact. energy: -0.181
local terms energy: -52.148260
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -5.353
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: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -147.761308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.761308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.761308 (E_RNA)
where:
Base-Base interactions energy: -84.346
where: short stacking energy: -38.495
Base-Backbone interact. energy: -0.527
local terms energy: -62.888350
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -134.854449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.854449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.854449 (E_RNA)
where:
Base-Base interactions energy: -80.761
where: short stacking energy: -42.127
Base-Backbone interact. energy: -0.561
local terms energy: -53.532954
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -88.297514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.297514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.297514 (E_RNA)
where:
Base-Base interactions energy: -43.726
where: short stacking energy: -18.939
Base-Backbone interact. energy: 0.464
local terms energy: -45.036057
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -1.394
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: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -86.734229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734229 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -32.901
Base-Backbone interact. energy: -0.163
local terms energy: -51.592496
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -103.927999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.927999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.927999 (E_RNA)
where:
Base-Base interactions energy: -57.216
where: short stacking energy: -30.794
Base-Backbone interact. energy: -0.197
local terms energy: -46.514800
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -3.432
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -74.882143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.882143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.882143 (E_RNA)
where:
Base-Base interactions energy: -35.452
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.014
local terms energy: -39.416315
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -216.345788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.345788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.345788 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.575
local terms energy: -76.079648
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -190.870847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.870847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.870847 (E_RNA)
where:
Base-Base interactions energy: -127.665
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.036
local terms energy: -63.169526
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -165.643821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.643821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.643821 (E_RNA)
where:
Base-Base interactions energy: -106.888
where: short stacking energy: -55.504
Base-Backbone interact. energy: -0.037
local terms energy: -58.718994
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -6.986
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -149.089081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.089081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.089081 (E_RNA)
where:
Base-Base interactions energy: -89.703
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.039
local terms energy: -59.347343
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -13.696
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: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -128.171653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.171653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.171653 (E_RNA)
where:
Base-Base interactions energy: -69.917
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.140
local terms energy: -58.114545
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -5.382
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: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -160.529352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.529352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.529352 (E_RNA)
where:
Base-Base interactions energy: -106.977
where: short stacking energy: -44.570
Base-Backbone interact. energy: -0.107
local terms energy: -53.445460
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -91.128622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.128622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.128622 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.130
local terms energy: -49.018124
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -111.893668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.893668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.893668 (E_RNA)
where:
Base-Base interactions energy: -58.896
where: short stacking energy: -27.500
Base-Backbone interact. energy: -0.020
local terms energy: -52.977151
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -89.267107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.267107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.267107 (E_RNA)
where:
Base-Base interactions energy: -45.511
where: short stacking energy: -30.043
Base-Backbone interact. energy: -0.127
local terms energy: -43.629299
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -3.573
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: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -75.724719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.724719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.724719 (E_RNA)
where:
Base-Base interactions energy: -30.434
where: short stacking energy: -24.939
Base-Backbone interact. energy: -0.104
local terms energy: -45.186918
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -5.485
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -212.800628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.800628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.800628 (E_RNA)
where:
Base-Base interactions energy: -140.551
where: short stacking energy: -61.251
Base-Backbone interact. energy: -0.019
local terms energy: -72.230351
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.342
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: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -193.724160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.724160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.724160 (E_RNA)
where:
Base-Base interactions energy: -122.184
where: short stacking energy: -54.143
Base-Backbone interact. energy: -0.747
local terms energy: -70.792414
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -17.250
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: 152
Temperature: 1.000000
Total energy: -158.786478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.786478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.786478 (E_RNA)
where:
Base-Base interactions energy: -95.868
where: short stacking energy: -41.933
Base-Backbone interact. energy: 1.212
local terms energy: -64.130580
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -163.706360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.706360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.706360 (E_RNA)
where:
Base-Base interactions energy: -105.473
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.203
local terms energy: -58.030196
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -12.451
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: 8
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -164.015728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.015728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.015728 (E_RNA)
where:
Base-Base interactions energy: -102.729
where: short stacking energy: -49.785
Base-Backbone interact. energy: -0.031
local terms energy: -61.255411
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -96.574459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.574459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.574459 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.089
local terms energy: -49.247114
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -95.936707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.936707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.936707 (E_RNA)
where:
Base-Base interactions energy: -48.878
where: short stacking energy: -18.054
Base-Backbone interact. energy: -0.058
local terms energy: -47.000673
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.951
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: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -73.963645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.963645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.963645 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -16.474
Base-Backbone interact. energy: -0.539
local terms energy: -40.226411
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: 3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -78.063296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.063296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.063296 (E_RNA)
where:
Base-Base interactions energy: -23.960
where: short stacking energy: -23.960
Base-Backbone interact. energy: -0.038
local terms energy: -54.065203
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -71.238949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.238949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.238949 (E_RNA)
where:
Base-Base interactions energy: -35.157
where: short stacking energy: -17.229
Base-Backbone interact. energy: 1.795
local terms energy: -37.877062
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: 2.291
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -210.252584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.252584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.252584 (E_RNA)
where:
Base-Base interactions energy: -136.510
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.095
local terms energy: -73.647549
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -207.124906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.124906 (E_RNA)
where:
Base-Base interactions energy: -135.536
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.018
local terms energy: -71.570923
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -166.448708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.448708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.448708 (E_RNA)
where:
Base-Base interactions energy: -106.091
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.684
local terms energy: -59.674373
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -173.405214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.405214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.405214 (E_RNA)
where:
Base-Base interactions energy: -108.059
where: short stacking energy: -46.541
Base-Backbone interact. energy: -0.337
local terms energy: -65.008396
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -150.251117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.251117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.251117 (E_RNA)
where:
Base-Base interactions energy: -86.242
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.056
local terms energy: -63.952996
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -87.959941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.959941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.959941 (E_RNA)
where:
Base-Base interactions energy: -34.973
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.108
local terms energy: -52.879290
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -9.066
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: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -91.486115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486115 (E_RNA)
where:
Base-Base interactions energy: -40.372
where: short stacking energy: -35.976
Base-Backbone interact. energy: -0.701
local terms energy: -50.413538
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -78.847181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847181 (E_RNA)
where:
Base-Base interactions energy: -29.266
where: short stacking energy: -24.302
Base-Backbone interact. energy: -1.439
local terms energy: -48.142127
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -1.352
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: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -83.004597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.004597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.004597 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.196
local terms energy: -41.795699
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -5.235
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: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -69.431049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.431049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.431049 (E_RNA)
where:
Base-Base interactions energy: -20.048
where: short stacking energy: -10.886
Base-Backbone interact. energy: 0.311
local terms energy: -49.693430
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -0.510
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: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -208.607628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.607628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.607628 (E_RNA)
where:
Base-Base interactions energy: -133.126
where: short stacking energy: -58.000
Base-Backbone interact. energy: -0.002
local terms energy: -75.479286
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -208.108052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.108052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.108052 (E_RNA)
where:
Base-Base interactions energy: -149.474
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.089
local terms energy: -58.544193
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -179.846966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.846966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.846966 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.330
local terms energy: -62.823296
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -13.286
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: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -155.601815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.601815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.601815 (E_RNA)
where:
Base-Base interactions energy: -93.659
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.505
local terms energy: -61.437294
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -151.766100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.766100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.766100 (E_RNA)
where:
Base-Base interactions energy: -95.560
where: short stacking energy: -47.343
Base-Backbone interact. energy: -0.024
local terms energy: -56.182192
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -96.561732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.561732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.561732 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.054
local terms energy: -60.614558
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -103.679791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.679791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.679791 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.104
local terms energy: -64.769337
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.406
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: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -91.572583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.572583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.572583 (E_RNA)
where:
Base-Base interactions energy: -37.941
where: short stacking energy: -37.941
Base-Backbone interact. energy: -0.083
local terms energy: -53.549551
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -99.857195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.857195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.857195 (E_RNA)
where:
Base-Base interactions energy: -50.767
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.602
local terms energy: -48.488059
where:
bonds (distance) C4'-P energy: -4.310
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -70.602989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.602989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.602989 (E_RNA)
where:
Base-Base interactions energy: -31.939
where: short stacking energy: -17.853
Base-Backbone interact. energy: -0.419
local terms energy: -38.245041
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -8.216
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: 3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -207.405903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.405903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.405903 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.175
local terms energy: -70.889563
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.562
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: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -183.910367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.910367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.910367 (E_RNA)
where:
Base-Base interactions energy: -113.798
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.001
local terms energy: -70.111669
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -201.235119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.235119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.235119 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.843
local terms energy: -66.511273
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -153.218790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.218790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.218790 (E_RNA)
where:
Base-Base interactions energy: -91.740
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.066
local terms energy: -61.412509
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -160.064158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.064158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.064158 (E_RNA)
where:
Base-Base interactions energy: -104.093
where: short stacking energy: -43.396
Base-Backbone interact. energy: -0.904
local terms energy: -55.067058
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -0.924
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -119.286202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.286202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.286202 (E_RNA)
where:
Base-Base interactions energy: -73.324
where: short stacking energy: -28.130
Base-Backbone interact. energy: -0.370
local terms energy: -45.592753
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -6.751
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: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -82.196631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.196631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.196631 (E_RNA)
where:
Base-Base interactions energy: -27.944
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.072
local terms energy: -54.180353
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -79.664948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.664948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.664948 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.117
local terms energy: -46.613207
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -75.942274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.942274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.942274 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -24.374
Base-Backbone interact. energy: -0.164
local terms energy: -46.472229
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -7.545
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: 0.567
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: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -74.742684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.742684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.742684 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.057
local terms energy: -45.514356
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -215.896720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.896720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.896720 (E_RNA)
where:
Base-Base interactions energy: -140.495
where: short stacking energy: -64.525
Base-Backbone interact. energy: 0.099
local terms energy: -75.500363
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -176.359361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.359361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.359361 (E_RNA)
where:
Base-Base interactions energy: -113.890
where: short stacking energy: -51.466
Base-Backbone interact. energy: 0.602
local terms energy: -63.070956
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -191.161887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.161887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.161887 (E_RNA)
where:
Base-Base interactions energy: -122.792
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.053
local terms energy: -68.316830
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -147.529755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.529755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.529755 (E_RNA)
where:
Base-Base interactions energy: -85.679
where: short stacking energy: -42.800
Base-Backbone interact. energy: -0.021
local terms energy: -61.830501
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.587
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: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -170.811970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.811970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.811970 (E_RNA)
where:
Base-Base interactions energy: -104.081
where: short stacking energy: -54.695
Base-Backbone interact. energy: -0.014
local terms energy: -66.717310
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -17.203
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: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -138.309672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.309672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.309672 (E_RNA)
where:
Base-Base interactions energy: -78.378
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.013
local terms energy: -59.918521
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -9.078
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -87.139059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139059 (E_RNA)
where:
Base-Base interactions energy: -32.462
where: short stacking energy: -29.025
Base-Backbone interact. energy: -0.539
local terms energy: -54.138335
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -97.661353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.661353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.661353 (E_RNA)
where:
Base-Base interactions energy: -42.471
where: short stacking energy: -27.394
Base-Backbone interact. energy: 1.998
local terms energy: -57.188381
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -76.212063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.212063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.212063 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.621
local terms energy: -46.831023
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -73.857457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.857457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.857457 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -17.526
Base-Backbone interact. energy: -0.364
local terms energy: -43.462255
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -193.948010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.948010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948010 (E_RNA)
where:
Base-Base interactions energy: -123.843
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.002
local terms energy: -70.102309
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -178.216146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.216146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.216146 (E_RNA)
where:
Base-Base interactions energy: -109.168
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.085
local terms energy: -68.962664
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -15.086
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: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -190.667268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.667268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.667268 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.069
local terms energy: -68.245450
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -180.279505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.279505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.279505 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.006
local terms energy: -67.341704
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -14.109
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: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -159.846295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.846295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.846295 (E_RNA)
where:
Base-Base interactions energy: -97.948
where: short stacking energy: -49.626
Base-Backbone interact. energy: -0.001
local terms energy: -61.897156
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -146.012128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.012128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.012128 (E_RNA)
where:
Base-Base interactions energy: -91.366
where: short stacking energy: -47.904
Base-Backbone interact. energy: -0.163
local terms energy: -54.482421
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.805
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: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -86.215473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215473 (E_RNA)
where:
Base-Base interactions energy: -33.409
where: short stacking energy: -33.409
Base-Backbone interact. energy: -0.009
local terms energy: -52.797326
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -82.262984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.262984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.262984 (E_RNA)
where:
Base-Base interactions energy: -42.516
where: short stacking energy: -28.257
Base-Backbone interact. energy: 3.457
local terms energy: -43.203643
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -76.731718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.731718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.731718 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -31.439
Base-Backbone interact. energy: 0.105
local terms energy: -43.887974
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -2.999
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -78.387250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387250 (E_RNA)
where:
Base-Base interactions energy: -30.773
where: short stacking energy: -30.773
Base-Backbone interact. energy: -0.101
local terms energy: -47.513125
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -209.038244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.038244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.038244 (E_RNA)
where:
Base-Base interactions energy: -135.862
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.078
local terms energy: -73.098073
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -180.552906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.552906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.552906 (E_RNA)
where:
Base-Base interactions energy: -112.463
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.000
local terms energy: -68.090056
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.326
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: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -182.447438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.447438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.447438 (E_RNA)
where:
Base-Base interactions energy: -118.140
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.002
local terms energy: -64.306013
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -13.382
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: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -157.447832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.447832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.447832 (E_RNA)
where:
Base-Base interactions energy: -97.397
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.115
local terms energy: -59.936465
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -9.912
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: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -145.295038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.295038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.295038 (E_RNA)
where:
Base-Base interactions energy: -92.670
where: short stacking energy: -45.795
Base-Backbone interact. energy: -0.492
local terms energy: -52.133702
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -7.633
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -144.876806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.876806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.876806 (E_RNA)
where:
Base-Base interactions energy: -94.745
where: short stacking energy: -38.708
Base-Backbone interact. energy: -0.150
local terms energy: -49.982107
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -2.355
tors. eta vs tors. theta energy: -4.594
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: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -85.311607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.311607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.311607 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.016
local terms energy: -53.944446
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.672
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: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -78.814835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.814835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.814835 (E_RNA)
where:
Base-Base interactions energy: -33.356
where: short stacking energy: -18.615
Base-Backbone interact. energy: -0.108
local terms energy: -45.351127
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -7.529
flat angles P-C4'-P energy: -13.525
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: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.832025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.832025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.832025 (E_RNA)
where:
Base-Base interactions energy: -32.182
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.009
local terms energy: -53.640839
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -4.546
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: 158
Temperature: 1.350000
Total energy: -75.727273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.727273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.727273 (E_RNA)
where:
Base-Base interactions energy: -24.772
where: short stacking energy: -21.125
Base-Backbone interact. energy: -0.157
local terms energy: -50.798541
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -4.251
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -206.571211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.571211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571211 (E_RNA)
where:
Base-Base interactions energy: -137.536
where: short stacking energy: -60.896
Base-Backbone interact. energy: -0.588
local terms energy: -68.447234
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -181.117701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.117701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.117701 (E_RNA)
where:
Base-Base interactions energy: -116.701
where: short stacking energy: -57.319
Base-Backbone interact. energy: -0.609
local terms energy: -63.808378
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -185.116004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116004 (E_RNA)
where:
Base-Base interactions energy: -116.750
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.166
local terms energy: -68.199994
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -12.508
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: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -151.936855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.936855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.936855 (E_RNA)
where:
Base-Base interactions energy: -98.675
where: short stacking energy: -41.205
Base-Backbone interact. energy: 0.239
local terms energy: -53.501047
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -129.442805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.442805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.442805 (E_RNA)
where:
Base-Base interactions energy: -74.500
where: short stacking energy: -36.536
Base-Backbone interact. energy: 1.668
local terms energy: -56.610429
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.524
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: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -140.452791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.452791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.452791 (E_RNA)
where:
Base-Base interactions energy: -84.575
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.841
local terms energy: -55.036510
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -102.400538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.400538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.400538 (E_RNA)
where:
Base-Base interactions energy: -52.177
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.179
local terms energy: -50.044804
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -5.476
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: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -85.039324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.039324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.039324 (E_RNA)
where:
Base-Base interactions energy: -32.192
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.657
local terms energy: -52.190484
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -73.184558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.184558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.184558 (E_RNA)
where:
Base-Base interactions energy: -23.609
where: short stacking energy: -23.609
Base-Backbone interact. energy: -0.106
local terms energy: -49.469875
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -10.829
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: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -71.594809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.594809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.594809 (E_RNA)
where:
Base-Base interactions energy: -23.841
where: short stacking energy: -20.609
Base-Backbone interact. energy: -0.187
local terms energy: -47.566962
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -214.334043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.334043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.334043 (E_RNA)
where:
Base-Base interactions energy: -140.849
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.000
local terms energy: -73.484953
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -190.239271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.239271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.239271 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -56.870
Base-Backbone interact. energy: -0.007
local terms energy: -63.898229
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -7.289
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: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -177.667553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.667553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.667553 (E_RNA)
where:
Base-Base interactions energy: -112.618
where: short stacking energy: -55.065
Base-Backbone interact. energy: -0.104
local terms energy: -64.944880
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -7.532
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: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -171.376887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.376887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.376887 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.041
local terms energy: -65.538545
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -134.317747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.317747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.317747 (E_RNA)
where:
Base-Base interactions energy: -82.094
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.232
local terms energy: -51.991904
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -135.244304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.244304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.244304 (E_RNA)
where:
Base-Base interactions energy: -76.701
where: short stacking energy: -36.323
Base-Backbone interact. energy: 1.741
local terms energy: -60.284359
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -5.832
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: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -79.628455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.628455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.628455 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.058
local terms energy: -48.834674
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -3.278
tors. eta vs tors. theta energy: -5.410
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: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -101.699533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.699533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.699533 (E_RNA)
where:
Base-Base interactions energy: -60.110
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.033
local terms energy: -41.556920
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: 3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -70.344025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.344025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.344025 (E_RNA)
where:
Base-Base interactions energy: -25.890
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.414
local terms energy: -44.039365
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -74.790144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.790144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.790144 (E_RNA)
where:
Base-Base interactions energy: -22.859
where: short stacking energy: -22.859
Base-Backbone interact. energy: -0.133
local terms energy: -51.797852
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: 0.887
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: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -214.914783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.914783 (E_RNA)
where:
Base-Base interactions energy: -143.210
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.099
local terms energy: -71.605728
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -196.721650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.721650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.721650 (E_RNA)
where:
Base-Base interactions energy: -128.576
where: short stacking energy: -45.671
Base-Backbone interact. energy: -0.118
local terms energy: -68.027352
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.905
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: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -175.086513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.086513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.086513 (E_RNA)
where:
Base-Base interactions energy: -108.895
where: short stacking energy: -55.698
Base-Backbone interact. energy: 0.632
local terms energy: -66.822970
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -171.144319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.144319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.144319 (E_RNA)
where:
Base-Base interactions energy: -102.052
where: short stacking energy: -46.913
Base-Backbone interact. energy: 0.171
local terms energy: -69.263668
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -16.679
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -105.218613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.218613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.218613 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.271
local terms energy: -56.280304
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -7.783
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: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -121.262814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.262814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.262814 (E_RNA)
where:
Base-Base interactions energy: -71.382
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.272
local terms energy: -49.608327
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -77.716041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.716041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.716041 (E_RNA)
where:
Base-Base interactions energy: -29.798
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.240
local terms energy: -47.678032
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -131.971105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.971105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.971105 (E_RNA)
where:
Base-Base interactions energy: -82.455
where: short stacking energy: -33.019
Base-Backbone interact. energy: -0.093
local terms energy: -49.422749
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -72.975779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.975779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.975779 (E_RNA)
where:
Base-Base interactions energy: -27.274
where: short stacking energy: -20.428
Base-Backbone interact. energy: 0.822
local terms energy: -46.524416
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -68.666221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.666221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.666221 (E_RNA)
where:
Base-Base interactions energy: -21.110
where: short stacking energy: -16.482
Base-Backbone interact. energy: 0.815
local terms energy: -48.370976
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -2.637
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -214.593194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.593194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.593194 (E_RNA)
where:
Base-Base interactions energy: -140.074
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.129
local terms energy: -74.390296
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.859
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: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -203.893768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.893768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.893768 (E_RNA)
where:
Base-Base interactions energy: -134.087
where: short stacking energy: -64.795
Base-Backbone interact. energy: 1.352
local terms energy: -71.158989
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -18.389
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: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -180.408781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.408781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.408781 (E_RNA)
where:
Base-Base interactions energy: -116.515
where: short stacking energy: -52.210
Base-Backbone interact. energy: -0.614
local terms energy: -63.279729
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -15.113
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: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -175.631324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.631324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.631324 (E_RNA)
where:
Base-Base interactions energy: -112.048
where: short stacking energy: -56.024
Base-Backbone interact. energy: -0.004
local terms energy: -63.579095
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -5.964
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: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -107.938251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.938251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.938251 (E_RNA)
where:
Base-Base interactions energy: -47.651
where: short stacking energy: -36.070
Base-Backbone interact. energy: -0.117
local terms energy: -60.170278
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -9.826
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: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -146.251148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.251148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.251148 (E_RNA)
where:
Base-Base interactions energy: -89.854
where: short stacking energy: -46.402
Base-Backbone interact. energy: 0.223
local terms energy: -56.619873
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -9.996
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: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -97.321736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.321736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.321736 (E_RNA)
where:
Base-Base interactions energy: -49.852
where: short stacking energy: -23.824
Base-Backbone interact. energy: -0.270
local terms energy: -47.199506
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -7.934
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -5.068
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: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -80.112506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.112506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.112506 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -34.781
Base-Backbone interact. energy: -0.873
local terms energy: -44.458512
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -7.558
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: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -75.421887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.421887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.421887 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -17.956
Base-Backbone interact. energy: 0.543
local terms energy: -47.084767
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -7.368
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: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -72.031860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.031860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.031860 (E_RNA)
where:
Base-Base interactions energy: -28.300
where: short stacking energy: -25.452
Base-Backbone interact. energy: -0.194
local terms energy: -43.537304
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -216.085985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.085985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.085985 (E_RNA)
where:
Base-Base interactions energy: -137.736
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.157
local terms energy: -78.192559
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.253
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: 163
Temperature: 0.950000
Total energy: -201.034393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.034393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.034393 (E_RNA)
where:
Base-Base interactions energy: -137.667
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.001
local terms energy: -63.365671
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -193.701776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.701776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.701776 (E_RNA)
where:
Base-Base interactions energy: -128.708
where: short stacking energy: -50.858
Base-Backbone interact. energy: -0.201
local terms energy: -64.792536
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -117.029173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.029173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.029173 (E_RNA)
where:
Base-Base interactions energy: -64.235
where: short stacking energy: -35.553
Base-Backbone interact. energy: -0.406
local terms energy: -52.388181
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -166.913790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.913790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.913790 (E_RNA)
where:
Base-Base interactions energy: -107.013
where: short stacking energy: -46.589
Base-Backbone interact. energy: 1.215
local terms energy: -61.116439
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -156.377058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.377058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.377058 (E_RNA)
where:
Base-Base interactions energy: -99.971
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.819
local terms energy: -55.587740
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -80.687646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.687646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.687646 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -28.270
Base-Backbone interact. energy: -0.329
local terms energy: -52.089160
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -2.835
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: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -77.350207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.350207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.350207 (E_RNA)
where:
Base-Base interactions energy: -29.509
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.287
local terms energy: -47.554573
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -5.051
tors. eta vs tors. theta energy: -1.375
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: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.082881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.082881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.082881 (E_RNA)
where:
Base-Base interactions energy: -24.704
where: short stacking energy: -23.637
Base-Backbone interact. energy: -0.246
local terms energy: -58.132475
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -5.169
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: 163
Temperature: 1.350000
Total energy: -76.280081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.280081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.280081 (E_RNA)
where:
Base-Base interactions energy: -25.240
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.031
local terms energy: -51.009312
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -209.816575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.816575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.816575 (E_RNA)
where:
Base-Base interactions energy: -135.700
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.305
local terms energy: -73.812213
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -19.712
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: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -192.710280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.710280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.710280 (E_RNA)
where:
Base-Base interactions energy: -120.190
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.344
local terms energy: -72.176463
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -8.997
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: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -191.824223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.824223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.824223 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -51.479
Base-Backbone interact. energy: -0.089
local terms energy: -73.789584
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -17.063
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: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -140.351799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.351799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.351799 (E_RNA)
where:
Base-Base interactions energy: -81.568
where: short stacking energy: -21.468
Base-Backbone interact. energy: -0.141
local terms energy: -58.642061
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -9.951
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: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -170.997077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.997077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.997077 (E_RNA)
where:
Base-Base interactions energy: -115.459
where: short stacking energy: -48.518
Base-Backbone interact. energy: -0.063
local terms energy: -55.475650
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -6.807
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: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -161.967704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.967704 (E_RNA)
where:
Base-Base interactions energy: -98.168
where: short stacking energy: -43.900
Base-Backbone interact. energy: -0.044
local terms energy: -63.756038
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -80.483807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.483807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.483807 (E_RNA)
where:
Base-Base interactions energy: -38.961
where: short stacking energy: -28.138
Base-Backbone interact. energy: 2.722
local terms energy: -44.244449
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -5.747
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -82.596951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.596951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.596951 (E_RNA)
where:
Base-Base interactions energy: -36.555
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.764
local terms energy: -45.277485
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -7.891
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: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -73.092776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.092776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.092776 (E_RNA)
where:
Base-Base interactions energy: -21.522
where: short stacking energy: -22.022
Base-Backbone interact. energy: -0.087
local terms energy: -51.484502
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -7.500
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: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -66.269551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.269551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.269551 (E_RNA)
where:
Base-Base interactions energy: -21.250
where: short stacking energy: -21.250
Base-Backbone interact. energy: -0.045
local terms energy: -44.974613
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: 0.004
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: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -209.112709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.112709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.112709 (E_RNA)
where:
Base-Base interactions energy: -140.282
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.005
local terms energy: -68.825636
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -21.787
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: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -184.511518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.511518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.511518 (E_RNA)
where:
Base-Base interactions energy: -121.707
where: short stacking energy: -42.569
Base-Backbone interact. energy: 0.293
local terms energy: -63.097074
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -202.826609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.826609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.826609 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.105
local terms energy: -68.350611
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -188.456141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.456141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.456141 (E_RNA)
where:
Base-Base interactions energy: -119.955
where: short stacking energy: -48.988
Base-Backbone interact. energy: -0.067
local terms energy: -68.434046
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -173.435957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.435957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.435957 (E_RNA)
where:
Base-Base interactions energy: -111.360
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.216
local terms energy: -61.860193
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -162.947573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.947573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.947573 (E_RNA)
where:
Base-Base interactions energy: -108.950
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.126
local terms energy: -53.871634
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -85.787457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787457 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -26.787
Base-Backbone interact. energy: -0.131
local terms energy: -45.957792
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -9.329
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: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -81.610118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.610118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.610118 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -36.900
Base-Backbone interact. energy: -0.151
local terms energy: -39.305921
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -6.487
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -6.188
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -78.356061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.356061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.356061 (E_RNA)
where:
Base-Base interactions energy: -27.951
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.126
local terms energy: -50.278373
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -5.094
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: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -72.970134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.970134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.970134 (E_RNA)
where:
Base-Base interactions energy: -25.722
where: short stacking energy: -25.722
Base-Backbone interact. energy: -0.202
local terms energy: -47.045821
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -210.597412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.597412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.597412 (E_RNA)
where:
Base-Base interactions energy: -137.450
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.575
local terms energy: -72.572927
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -196.234337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.234337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.234337 (E_RNA)
where:
Base-Base interactions energy: -126.692
where: short stacking energy: -55.823
Base-Backbone interact. energy: -0.184
local terms energy: -69.357675
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -18.200
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: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -179.280934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.280934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.280934 (E_RNA)
where:
Base-Base interactions energy: -113.400
where: short stacking energy: -53.080
Base-Backbone interact. energy: -0.221
local terms energy: -65.660074
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -10.809
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: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -191.965625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.965625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.965625 (E_RNA)
where:
Base-Base interactions energy: -124.934
where: short stacking energy: -56.673
Base-Backbone interact. energy: -0.087
local terms energy: -66.944449
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -169.658019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.658019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.658019 (E_RNA)
where:
Base-Base interactions energy: -110.265
where: short stacking energy: -49.262
Base-Backbone interact. energy: -0.735
local terms energy: -58.658610
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -6.811
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -6.584
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: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -144.530461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.530461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.530461 (E_RNA)
where:
Base-Base interactions energy: -89.374
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.599
local terms energy: -54.558021
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -8.483
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: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -92.041778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.041778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.041778 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.031
Base-Backbone interact. energy: -0.005
local terms energy: -53.735147
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -11.296
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: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -82.456159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.456159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.456159 (E_RNA)
where:
Base-Base interactions energy: -25.733
where: short stacking energy: -22.256
Base-Backbone interact. energy: 0.732
local terms energy: -57.455581
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -83.094026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.094026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.094026 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.307
local terms energy: -40.656206
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -5.390
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -79.572149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.572149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.572149 (E_RNA)
where:
Base-Base interactions energy: -26.984
where: short stacking energy: -26.547
Base-Backbone interact. energy: -0.075
local terms energy: -52.513255
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -212.208742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.208742 (E_RNA)
where:
Base-Base interactions energy: -141.843
where: short stacking energy: -62.136
Base-Backbone interact. energy: -0.354
local terms energy: -70.011584
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -196.620344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.620344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.620344 (E_RNA)
where:
Base-Base interactions energy: -127.547
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.001
local terms energy: -69.071944
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -183.853440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.853440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853440 (E_RNA)
where:
Base-Base interactions energy: -117.224
where: short stacking energy: -53.981
Base-Backbone interact. energy: 0.701
local terms energy: -67.330142
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -199.007495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.007495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.007495 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -57.529
Base-Backbone interact. energy: -0.001
local terms energy: -67.820995
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -6.399
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: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -159.697212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.697212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.697212 (E_RNA)
where:
Base-Base interactions energy: -96.144
where: short stacking energy: -43.029
Base-Backbone interact. energy: -0.874
local terms energy: -62.679380
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.604
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: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -92.350581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.350581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.350581 (E_RNA)
where:
Base-Base interactions energy: -38.111
where: short stacking energy: -38.111
Base-Backbone interact. energy: -0.106
local terms energy: -54.133292
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -4.300
tors. eta vs tors. theta energy: -8.383
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: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -146.390505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.390505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.390505 (E_RNA)
where:
Base-Base interactions energy: -86.442
where: short stacking energy: -48.849
Base-Backbone interact. energy: 1.497
local terms energy: -61.446090
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -95.322285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.322285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.322285 (E_RNA)
where:
Base-Base interactions energy: -35.779
where: short stacking energy: -21.916
Base-Backbone interact. energy: -0.966
local terms energy: -58.576820
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -79.818074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.818074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.818074 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -26.490
Base-Backbone interact. energy: -0.098
local terms energy: -41.433811
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -93.861399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.861399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.861399 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -34.727
Base-Backbone interact. energy: -0.193
local terms energy: -50.070679
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -206.522692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.522692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.522692 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.001
local terms energy: -77.802933
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -11.527
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: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -198.119904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.119904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.119904 (E_RNA)
where:
Base-Base interactions energy: -127.342
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.061
local terms energy: -70.717216
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -7.953
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: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -199.640654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.640654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.640654 (E_RNA)
where:
Base-Base interactions energy: -135.240
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.003
local terms energy: -64.397664
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -2.876
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: 4, replica: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -175.155408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.155408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.155408 (E_RNA)
where:
Base-Base interactions energy: -111.697
where: short stacking energy: -51.630
Base-Backbone interact. energy: -0.078
local terms energy: -63.380418
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -14.950
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: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -164.609990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.609990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.609990 (E_RNA)
where:
Base-Base interactions energy: -97.224
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.101
local terms energy: -67.284192
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.406
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: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -94.304342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.304342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.304342 (E_RNA)
where:
Base-Base interactions energy: -40.947
where: short stacking energy: -38.690
Base-Backbone interact. energy: -0.096
local terms energy: -53.261350
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -108.892573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.892573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.892573 (E_RNA)
where:
Base-Base interactions energy: -61.276
where: short stacking energy: -34.929
Base-Backbone interact. energy: -0.136
local terms energy: -47.480561
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -6.650
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: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -82.564173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.564173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.564173 (E_RNA)
where:
Base-Base interactions energy: -27.877
where: short stacking energy: -27.877
Base-Backbone interact. energy: -0.180
local terms energy: -54.506907
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -9.815
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: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -93.510809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.510809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.510809 (E_RNA)
where:
Base-Base interactions energy: -50.505
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.850
local terms energy: -42.154964
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -86.443682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.443682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.443682 (E_RNA)
where:
Base-Base interactions energy: -36.064
where: short stacking energy: -32.500
Base-Backbone interact. energy: -0.080
local terms energy: -50.299859
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -9.687
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: 169
Temperature: 0.900000
Total energy: -216.170359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170359 (E_RNA)
where:
Base-Base interactions energy: -142.545
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.126
local terms energy: -73.499475
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.707
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: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -211.858474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.858474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.858474 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.011
local terms energy: -69.792246
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -191.882974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.882974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.882974 (E_RNA)
where:
Base-Base interactions energy: -120.393
where: short stacking energy: -51.051
Base-Backbone interact. energy: 0.201
local terms energy: -71.690974
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -166.454584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454584 (E_RNA)
where:
Base-Base interactions energy: -102.831
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.040
local terms energy: -63.583813
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -157.368087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.368087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.368087 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.282
local terms energy: -61.519752
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -13.743
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: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -99.036611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.036611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.036611 (E_RNA)
where:
Base-Base interactions energy: -47.971
where: short stacking energy: -27.348
Base-Backbone interact. energy: -0.166
local terms energy: -50.899896
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -109.018961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.018961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.018961 (E_RNA)
where:
Base-Base interactions energy: -57.515
where: short stacking energy: -29.020
Base-Backbone interact. energy: -0.086
local terms energy: -51.417548
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -78.584869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584869 (E_RNA)
where:
Base-Base interactions energy: -30.498
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.550
local terms energy: -47.536187
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -92.207651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.207651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.207651 (E_RNA)
where:
Base-Base interactions energy: -34.034
where: short stacking energy: -34.034
Base-Backbone interact. energy: -0.146
local terms energy: -58.027209
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -9.064
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: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -73.923167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.923167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.923167 (E_RNA)
where:
Base-Base interactions energy: -32.603
where: short stacking energy: -21.270
Base-Backbone interact. energy: 0.003
local terms energy: -41.323489
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -205.259265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.259265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.259265 (E_RNA)
where:
Base-Base interactions energy: -137.014
where: short stacking energy: -56.203
Base-Backbone interact. energy: -0.116
local terms energy: -68.128923
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -201.421914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.421914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.421914 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.792
local terms energy: -66.092692
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -190.958906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.958906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.958906 (E_RNA)
where:
Base-Base interactions energy: -121.553
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.157
local terms energy: -69.249521
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -178.151947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.151947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.151947 (E_RNA)
where:
Base-Base interactions energy: -116.412
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.354
local terms energy: -61.385838
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -150.996748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.996748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.996748 (E_RNA)
where:
Base-Base interactions energy: -92.205
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.163
local terms energy: -58.628774
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -93.124251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.124251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.124251 (E_RNA)
where:
Base-Base interactions energy: -39.575
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.075
local terms energy: -53.473542
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -4.954
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: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -86.839110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839110 (E_RNA)
where:
Base-Base interactions energy: -43.777
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.133
local terms energy: -42.929444
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -1.958
tors. eta vs tors. theta energy: -0.120
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: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -96.179943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.179943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.179943 (E_RNA)
where:
Base-Base interactions energy: -38.179
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.047
local terms energy: -57.953830
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -12.251
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: 170
Temperature: 1.300000
Total energy: -78.245335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.245335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.245335 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.339
local terms energy: -39.867774
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -66.153612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.153612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.153612 (E_RNA)
where:
Base-Base interactions energy: -25.765
where: short stacking energy: -15.657
Base-Backbone interact. energy: -0.134
local terms energy: -40.253938
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -211.837952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.837952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.837952 (E_RNA)
where:
Base-Base interactions energy: -140.612
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.084
local terms energy: -71.141535
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -196.476270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.476270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.476270 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.318
local terms energy: -65.350024
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -191.278120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.278120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.278120 (E_RNA)
where:
Base-Base interactions energy: -124.935
where: short stacking energy: -51.313
Base-Backbone interact. energy: -0.549
local terms energy: -65.793946
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -163.186412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.186412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.186412 (E_RNA)
where:
Base-Base interactions energy: -108.596
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.581
local terms energy: -54.009233
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -175.878443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.878443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.878443 (E_RNA)
where:
Base-Base interactions energy: -104.719
where: short stacking energy: -46.033
Base-Backbone interact. energy: 0.916
local terms energy: -72.074717
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -97.194864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.194864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.194864 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -37.248
Base-Backbone interact. energy: 0.317
local terms energy: -60.263884
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -9.490
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -88.392729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.392729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.392729 (E_RNA)
where:
Base-Base interactions energy: -43.051
where: short stacking energy: -38.771
Base-Backbone interact. energy: -0.168
local terms energy: -45.173965
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -86.145915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.145915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.145915 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -32.293
Base-Backbone interact. energy: 0.070
local terms energy: -49.257594
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.097735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.097735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.097735 (E_RNA)
where:
Base-Base interactions energy: -28.060
where: short stacking energy: -19.750
Base-Backbone interact. energy: -0.201
local terms energy: -51.837274
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -77.516091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.516091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.516091 (E_RNA)
where:
Base-Base interactions energy: -28.826
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.094
local terms energy: -48.596440
where:
bonds (distance) C4'-P energy: -7.919
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -5.746
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: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -213.358295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.358295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358295 (E_RNA)
where:
Base-Base interactions energy: -139.507
where: short stacking energy: -64.230
Base-Backbone interact. energy: -0.000
local terms energy: -73.851248
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -168.978651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.978651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.978651 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -49.042
Base-Backbone interact. energy: -0.802
local terms energy: -53.388943
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -169.241043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.241043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.241043 (E_RNA)
where:
Base-Base interactions energy: -104.660
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.026
local terms energy: -64.555211
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -152.411136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.411136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.411136 (E_RNA)
where:
Base-Base interactions energy: -86.301
where: short stacking energy: -41.154
Base-Backbone interact. energy: -0.932
local terms energy: -65.177847
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -112.476970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.476970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.476970 (E_RNA)
where:
Base-Base interactions energy: -59.280
where: short stacking energy: -30.797
Base-Backbone interact. energy: -0.262
local terms energy: -52.935348
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -162.540494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.540494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.540494 (E_RNA)
where:
Base-Base interactions energy: -97.051
where: short stacking energy: -43.628
Base-Backbone interact. energy: -0.004
local terms energy: -65.485520
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -85.247386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.247386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.247386 (E_RNA)
where:
Base-Base interactions energy: -30.533
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.068
local terms energy: -54.646569
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -112.973899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.973899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.973899 (E_RNA)
where:
Base-Base interactions energy: -69.460
where: short stacking energy: -31.191
Base-Backbone interact. energy: -0.136
local terms energy: -43.377608
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -5.691
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -87.188635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.188635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.188635 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -26.724
Base-Backbone interact. energy: 1.163
local terms energy: -51.506678
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -85.375794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.375794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.375794 (E_RNA)
where:
Base-Base interactions energy: -34.653
where: short stacking energy: -34.653
Base-Backbone interact. energy: -0.057
local terms energy: -50.666474
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -210.263088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.263088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.263088 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.005
local terms energy: -73.710419
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -186.906512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.906512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.906512 (E_RNA)
where:
Base-Base interactions energy: -123.706
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.077
local terms energy: -63.123003
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -170.172374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.172374 (E_RNA)
where:
Base-Base interactions energy: -109.560
where: short stacking energy: -53.818
Base-Backbone interact. energy: -0.369
local terms energy: -60.243532
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -6.347
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: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -167.705135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.705135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.705135 (E_RNA)
where:
Base-Base interactions energy: -103.788
where: short stacking energy: -45.075
Base-Backbone interact. energy: 0.928
local terms energy: -64.844377
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -14.469
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: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -115.757347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.757347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.757347 (E_RNA)
where:
Base-Base interactions energy: -53.989
where: short stacking energy: -37.145
Base-Backbone interact. energy: -0.125
local terms energy: -61.642644
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -144.415177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.415177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.415177 (E_RNA)
where:
Base-Base interactions energy: -85.121
where: short stacking energy: -37.329
Base-Backbone interact. energy: -0.718
local terms energy: -58.576256
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -77.762896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.762896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.762896 (E_RNA)
where:
Base-Base interactions energy: -26.780
where: short stacking energy: -26.780
Base-Backbone interact. energy: -0.168
local terms energy: -50.814954
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -0.374
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: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -91.626175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.626175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.626175 (E_RNA)
where:
Base-Base interactions energy: -41.420
where: short stacking energy: -20.977
Base-Backbone interact. energy: -0.357
local terms energy: -49.848370
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -91.636439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.636439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.636439 (E_RNA)
where:
Base-Base interactions energy: -40.563
where: short stacking energy: -22.285
Base-Backbone interact. energy: -0.005
local terms energy: -51.068089
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -3.165
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: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -64.115887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.115887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.115887 (E_RNA)
where:
Base-Base interactions energy: -18.751
where: short stacking energy: -14.867
Base-Backbone interact. energy: 0.680
local terms energy: -46.044853
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: 0.625
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: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -207.054667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.054667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.054667 (E_RNA)
where:
Base-Base interactions energy: -132.760
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.003
local terms energy: -74.291902
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -202.597080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.597080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.597080 (E_RNA)
where:
Base-Base interactions energy: -129.094
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.078
local terms energy: -73.425725
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.129
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: 174
Temperature: 1.000000
Total energy: -171.519399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.519399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.519399 (E_RNA)
where:
Base-Base interactions energy: -106.558
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.372
local terms energy: -64.589253
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -157.704767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.704767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.704767 (E_RNA)
where:
Base-Base interactions energy: -96.361
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.007
local terms energy: -61.336224
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.567
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: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -169.090830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.090830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.090830 (E_RNA)
where:
Base-Base interactions energy: -115.276
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.016
local terms energy: -53.798606
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -13.508
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: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -86.526971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.526971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.526971 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.160
local terms energy: -51.775351
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -101.283140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.283140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.283140 (E_RNA)
where:
Base-Base interactions energy: -50.354
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.245
local terms energy: -50.683850
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -4.385
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -77.564074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.564074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.564074 (E_RNA)
where:
Base-Base interactions energy: -29.505
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.309
local terms energy: -47.750136
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -80.308886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308886 (E_RNA)
where:
Base-Base interactions energy: -25.626
where: short stacking energy: -25.188
Base-Backbone interact. energy: -0.084
local terms energy: -54.598178
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -6.354
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: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -80.692328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.692328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.692328 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -25.021
Base-Backbone interact. energy: -0.042
local terms energy: -48.391118
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -5.517
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: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -208.772204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.772204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.772204 (E_RNA)
where:
Base-Base interactions energy: -137.473
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.071
local terms energy: -71.228921
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -211.510864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.510864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.510864 (E_RNA)
where:
Base-Base interactions energy: -137.919
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.000
local terms energy: -73.591869
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -177.481779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.481779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.481779 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -48.379
Base-Backbone interact. energy: -0.242
local terms energy: -66.515722
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -179.337987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.337987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.337987 (E_RNA)
where:
Base-Base interactions energy: -109.668
where: short stacking energy: -48.575
Base-Backbone interact. energy: -2.814
local terms energy: -66.856372
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -170.392315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.392315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.392315 (E_RNA)
where:
Base-Base interactions energy: -110.229
where: short stacking energy: -44.067
Base-Backbone interact. energy: -0.108
local terms energy: -60.054964
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -14.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -108.483053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.483053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.483053 (E_RNA)
where:
Base-Base interactions energy: -57.742
where: short stacking energy: -29.013
Base-Backbone interact. energy: -0.032
local terms energy: -50.708662
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -4.576
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: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -85.977573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.977573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.977573 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -35.733
Base-Backbone interact. energy: -0.150
local terms energy: -50.093930
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -6.389
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: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -103.110694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.110694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.110694 (E_RNA)
where:
Base-Base interactions energy: -56.176
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.263
local terms energy: -46.671442
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -75.482476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.482476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.482476 (E_RNA)
where:
Base-Base interactions energy: -24.805
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.103
local terms energy: -50.574714
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -77.183376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.183376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.183376 (E_RNA)
where:
Base-Base interactions energy: -31.623
where: short stacking energy: -26.179
Base-Backbone interact. energy: -0.817
local terms energy: -44.743369
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -2.213
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -209.513577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.513577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.513577 (E_RNA)
where:
Base-Base interactions energy: -139.565
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.114
local terms energy: -69.834397
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -21.654
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: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -202.959937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959937 (E_RNA)
where:
Base-Base interactions energy: -135.022
where: short stacking energy: -56.962
Base-Backbone interact. energy: -0.004
local terms energy: -67.934136
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -175.136457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.136457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.136457 (E_RNA)
where:
Base-Base interactions energy: -112.953
where: short stacking energy: -54.478
Base-Backbone interact. energy: -0.047
local terms energy: -62.136082
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -11.819
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: 176
Temperature: 1.050000
Total energy: -169.031170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.031170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.031170 (E_RNA)
where:
Base-Base interactions energy: -102.023
where: short stacking energy: -51.687
Base-Backbone interact. energy: -0.423
local terms energy: -66.584976
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -15.341
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: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -167.072816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.072816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.072816 (E_RNA)
where:
Base-Base interactions energy: -104.674
where: short stacking energy: -41.645
Base-Backbone interact. energy: -0.105
local terms energy: -62.294252
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -14.136
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: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -119.448722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.448722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.448722 (E_RNA)
where:
Base-Base interactions energy: -64.688
where: short stacking energy: -32.882
Base-Backbone interact. energy: -0.183
local terms energy: -54.578061
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -98.504961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.504961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.504961 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -30.847
Base-Backbone interact. energy: -0.316
local terms energy: -48.148696
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: 4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -77.487756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.487756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.487756 (E_RNA)
where:
Base-Base interactions energy: -34.098
where: short stacking energy: -28.017
Base-Backbone interact. energy: -0.078
local terms energy: -43.311585
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -78.565818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.565818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.565818 (E_RNA)
where:
Base-Base interactions energy: -28.130
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.201
local terms energy: -50.235647
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -75.388068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.388068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.388068 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -19.035
Base-Backbone interact. energy: -0.007
local terms energy: -48.045004
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -8.034
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: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -207.532346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.532346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.532346 (E_RNA)
where:
Base-Base interactions energy: -136.238
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.081
local terms energy: -71.212998
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -182.393584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.393584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.393584 (E_RNA)
where:
Base-Base interactions energy: -114.083
where: short stacking energy: -55.279
Base-Backbone interact. energy: 0.284
local terms energy: -68.594761
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -14.583
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -189.011376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011376 (E_RNA)
where:
Base-Base interactions energy: -115.281
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.178
local terms energy: -73.552661
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -183.774543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.774543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.774543 (E_RNA)
where:
Base-Base interactions energy: -115.729
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.356
local terms energy: -67.689596
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -162.638911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.638911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.638911 (E_RNA)
where:
Base-Base interactions energy: -106.894
where: short stacking energy: -45.291
Base-Backbone interact. energy: -0.626
local terms energy: -55.119545
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -2.369
tors. eta vs tors. theta energy: -10.566
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: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -92.771156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.771156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.771156 (E_RNA)
where:
Base-Base interactions energy: -43.564
where: short stacking energy: -31.380
Base-Backbone interact. energy: -0.236
local terms energy: -48.971271
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -7.430
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: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -91.518398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.518398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.518398 (E_RNA)
where:
Base-Base interactions energy: -34.263
where: short stacking energy: -22.955
Base-Backbone interact. energy: -0.671
local terms energy: -56.583862
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -7.558
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: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -76.663694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663694 (E_RNA)
where:
Base-Base interactions energy: -32.051
where: short stacking energy: -30.806
Base-Backbone interact. energy: 0.549
local terms energy: -45.162340
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -6.884
flat angles P-C4'-P energy: -3.476
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: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -80.077545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.077545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.077545 (E_RNA)
where:
Base-Base interactions energy: -26.769
where: short stacking energy: -26.769
Base-Backbone interact. energy: -0.051
local terms energy: -53.257126
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -71.993036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.993036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.993036 (E_RNA)
where:
Base-Base interactions energy: -26.127
where: short stacking energy: -24.747
Base-Backbone interact. energy: -2.277
local terms energy: -43.588739
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -210.685527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.685527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.685527 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.089
local terms energy: -77.830523
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -180.555249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.555249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.555249 (E_RNA)
where:
Base-Base interactions energy: -110.923
where: short stacking energy: -46.406
Base-Backbone interact. energy: -0.451
local terms energy: -69.180923
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -13.776
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: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -186.064417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.064417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.064417 (E_RNA)
where:
Base-Base interactions energy: -116.216
where: short stacking energy: -54.837
Base-Backbone interact. energy: 0.049
local terms energy: -69.897531
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -197.123099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.123099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.123099 (E_RNA)
where:
Base-Base interactions energy: -127.472
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.589
local terms energy: -69.061809
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -157.272198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.272198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.272198 (E_RNA)
where:
Base-Base interactions energy: -90.349
where: short stacking energy: -43.200
Base-Backbone interact. energy: 0.410
local terms energy: -67.332305
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -97.066636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.066636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.066636 (E_RNA)
where:
Base-Base interactions energy: -43.985
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.088
local terms energy: -52.993044
where:
bonds (distance) C4'-P energy: -4.979
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -92.625847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.625847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.625847 (E_RNA)
where:
Base-Base interactions energy: -37.582
where: short stacking energy: -26.387
Base-Backbone interact. energy: -1.212
local terms energy: -53.831864
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -83.568760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568760 (E_RNA)
where:
Base-Base interactions energy: -41.359
where: short stacking energy: -32.307
Base-Backbone interact. energy: -0.062
local terms energy: -42.147040
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -2.032
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: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -84.570374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.570374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.570374 (E_RNA)
where:
Base-Base interactions energy: -35.534
where: short stacking energy: -31.271
Base-Backbone interact. energy: 0.020
local terms energy: -49.056572
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -75.152394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.152394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.152394 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -28.989
Base-Backbone interact. energy: -0.438
local terms energy: -46.226104
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -211.639992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.639992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.639992 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.006
local terms energy: -69.579184
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -7.858
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -193.915090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.915090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.915090 (E_RNA)
where:
Base-Base interactions energy: -125.335
where: short stacking energy: -58.016
Base-Backbone interact. energy: -0.010
local terms energy: -68.569929
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -175.712729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.712729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.712729 (E_RNA)
where:
Base-Base interactions energy: -107.939
where: short stacking energy: -49.008
Base-Backbone interact. energy: -0.014
local terms energy: -67.759734
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -7.544
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: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -196.124942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.124942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.124942 (E_RNA)
where:
Base-Base interactions energy: -128.267
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.005
local terms energy: -67.853306
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -152.763325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.763325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.763325 (E_RNA)
where:
Base-Base interactions energy: -94.450
where: short stacking energy: -44.748
Base-Backbone interact. energy: -0.177
local terms energy: -58.136769
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -102.886370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.886370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.886370 (E_RNA)
where:
Base-Base interactions energy: -50.433
where: short stacking energy: -25.511
Base-Backbone interact. energy: -0.024
local terms energy: -52.428908
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -106.494468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.494468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.494468 (E_RNA)
where:
Base-Base interactions energy: -48.449
where: short stacking energy: -21.567
Base-Backbone interact. energy: -0.851
local terms energy: -57.194224
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -4.665
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: 179
Temperature: 1.250000
Total energy: -74.596022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.596022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.596022 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -22.251
Base-Backbone interact. energy: -0.083
local terms energy: -40.595333
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -7.439
flat angles P-C4'-P energy: -3.821
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: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -80.915786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915786 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -21.330
Base-Backbone interact. energy: -1.139
local terms energy: -49.602887
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -72.508706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.508706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.508706 (E_RNA)
where:
Base-Base interactions energy: -33.671
where: short stacking energy: -25.139
Base-Backbone interact. energy: 3.345
local terms energy: -42.182288
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -8.499
flat angles P-C4'-P energy: -3.010
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: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -205.886606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.886606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.886606 (E_RNA)
where:
Base-Base interactions energy: -133.726
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.001
local terms energy: -72.159762
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -7.766
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: 180
Temperature: 0.950000
Total energy: -189.856010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.856010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.856010 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -53.178
Base-Backbone interact. energy: -0.002
local terms energy: -72.809946
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -19.101
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: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -196.211303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.211303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.211303 (E_RNA)
where:
Base-Base interactions energy: -124.396
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.016
local terms energy: -71.800075
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.876
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: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -167.795155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.795155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.795155 (E_RNA)
where:
Base-Base interactions energy: -110.200
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.127
local terms energy: -57.468435
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -3.537
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -158.616910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.616910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.616910 (E_RNA)
where:
Base-Base interactions energy: -95.219
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.712
local terms energy: -62.686106
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -92.694082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.694082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.694082 (E_RNA)
where:
Base-Base interactions energy: -37.513
where: short stacking energy: -31.590
Base-Backbone interact. energy: -0.136
local terms energy: -55.044682
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -11.439
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: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -88.540948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.540948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.540948 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -28.988
Base-Backbone interact. energy: 0.072
local terms energy: -55.383296
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -11.941
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: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -84.194778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194778 (E_RNA)
where:
Base-Base interactions energy: -35.532
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.083
local terms energy: -48.579466
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -78.171038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.171038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.171038 (E_RNA)
where:
Base-Base interactions energy: -33.642
where: short stacking energy: -23.161
Base-Backbone interact. energy: -0.106
local terms energy: -44.423502
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -8.809
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: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -74.481658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.481658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.481658 (E_RNA)
where:
Base-Base interactions energy: -29.202
where: short stacking energy: -24.508
Base-Backbone interact. energy: -0.515
local terms energy: -44.764659
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -203.104113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.104113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.104113 (E_RNA)
where:
Base-Base interactions energy: -130.420
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.002
local terms energy: -72.682148
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.291
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: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -203.590092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.590092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.590092 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.024
local terms energy: -74.890582
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.841
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: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -202.239692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.239692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.239692 (E_RNA)
where:
Base-Base interactions energy: -133.644
where: short stacking energy: -61.826
Base-Backbone interact. energy: -0.006
local terms energy: -68.589489
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -151.989407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.989407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.989407 (E_RNA)
where:
Base-Base interactions energy: -89.162
where: short stacking energy: -43.475
Base-Backbone interact. energy: 0.485
local terms energy: -63.312840
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -169.675398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.675398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.675398 (E_RNA)
where:
Base-Base interactions energy: -108.954
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.575
local terms energy: -60.146157
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -13.635
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: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -102.222026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.222026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.222026 (E_RNA)
where:
Base-Base interactions energy: -42.840
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.010
local terms energy: -59.371460
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.090
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: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -92.152975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.152975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.152975 (E_RNA)
where:
Base-Base interactions energy: -46.824
where: short stacking energy: -38.966
Base-Backbone interact. energy: -0.158
local terms energy: -45.170636
where:
bonds (distance) C4'-P energy: -7.107
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -7.552
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -89.916989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.916989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.916989 (E_RNA)
where:
Base-Base interactions energy: -38.442
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.169
local terms energy: -51.306202
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -5.645
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -66.885676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.885676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.885676 (E_RNA)
where:
Base-Base interactions energy: -23.468
where: short stacking energy: -9.975
Base-Backbone interact. energy: 4.167
local terms energy: -47.584896
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -0.028
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: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -81.875105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.875105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.875105 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -22.447
Base-Backbone interact. energy: -0.208
local terms energy: -37.708975
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -3.019
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -210.505118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.505118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.505118 (E_RNA)
where:
Base-Base interactions energy: -140.904
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.011
local terms energy: -69.590219
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -197.517933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.517933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.517933 (E_RNA)
where:
Base-Base interactions energy: -128.360
where: short stacking energy: -59.736
Base-Backbone interact. energy: 0.031
local terms energy: -69.189157
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -194.674968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.674968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.674968 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.001
local terms energy: -64.864224
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -8.807
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -169.373746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.373746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.373746 (E_RNA)
where:
Base-Base interactions energy: -113.713
where: short stacking energy: -38.370
Base-Backbone interact. energy: 1.197
local terms energy: -56.858046
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -183.739979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.739979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.739979 (E_RNA)
where:
Base-Base interactions energy: -108.883
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.249
local terms energy: -74.608027
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -91.929870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.929870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.929870 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.036
local terms energy: -54.441918
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -92.771589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.771589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.771589 (E_RNA)
where:
Base-Base interactions energy: -37.626
where: short stacking energy: -36.430
Base-Backbone interact. energy: 0.771
local terms energy: -55.916089
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -80.722207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.722207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.722207 (E_RNA)
where:
Base-Base interactions energy: -30.282
where: short stacking energy: -30.282
Base-Backbone interact. energy: -0.020
local terms energy: -50.420331
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -1.434
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -75.066248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.066248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.066248 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -22.253
Base-Backbone interact. energy: 0.404
local terms energy: -50.564982
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -4.187
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -76.706459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.706459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.706459 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -21.433
Base-Backbone interact. energy: -1.379
local terms energy: -41.141424
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: 1.081
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: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -214.406826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.406826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.406826 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.112
local terms energy: -71.876144
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -198.043429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.043429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.043429 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -51.976
Base-Backbone interact. energy: 0.187
local terms energy: -69.138707
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -193.059198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.059198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.059198 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.004
local terms energy: -65.258984
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -16.637
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: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -172.847501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.847501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.847501 (E_RNA)
where:
Base-Base interactions energy: -115.732
where: short stacking energy: -50.471
Base-Backbone interact. energy: -0.077
local terms energy: -57.038100
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -169.268445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268445 (E_RNA)
where:
Base-Base interactions energy: -100.055
where: short stacking energy: -55.469
Base-Backbone interact. energy: -0.582
local terms energy: -68.631145
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -87.455832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.455832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.455832 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -31.801
Base-Backbone interact. energy: -0.076
local terms energy: -56.079451
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.640
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: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -93.751324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.751324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.751324 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -24.738
Base-Backbone interact. energy: 0.765
local terms energy: -56.491623
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.209
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: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -71.596132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.596132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.596132 (E_RNA)
where:
Base-Base interactions energy: -22.770
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.254
local terms energy: -48.571530
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -6.080
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -81.196658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.196658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.196658 (E_RNA)
where:
Base-Base interactions energy: -29.497
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.063
local terms energy: -51.636524
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -70.458856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.458856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.458856 (E_RNA)
where:
Base-Base interactions energy: -26.052
where: short stacking energy: -22.834
Base-Backbone interact. energy: 1.093
local terms energy: -45.499777
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -6.374
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: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -216.254765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.254765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.254765 (E_RNA)
where:
Base-Base interactions energy: -144.737
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.101
local terms energy: -71.417074
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -205.480843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.480843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.480843 (E_RNA)
where:
Base-Base interactions energy: -132.125
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.006
local terms energy: -73.349888
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -190.786025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.786025 (E_RNA)
where:
Base-Base interactions energy: -126.017
where: short stacking energy: -63.570
Base-Backbone interact. energy: -0.531
local terms energy: -64.238611
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -177.228756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.228756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.228756 (E_RNA)
where:
Base-Base interactions energy: -108.449
where: short stacking energy: -49.123
Base-Backbone interact. energy: -0.003
local terms energy: -68.776855
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -14.899
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: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -159.175333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.175333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.175333 (E_RNA)
where:
Base-Base interactions energy: -99.077
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.039
local terms energy: -60.059326
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -7.895
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: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -92.237722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.237722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.237722 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.218
local terms energy: -45.323921
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -9.212
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -1.899
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: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -76.949939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.949939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.949939 (E_RNA)
where:
Base-Base interactions energy: -25.418
where: short stacking energy: -18.240
Base-Backbone interact. energy: -2.575
local terms energy: -48.957014
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.867
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: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -77.132925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.132925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.132925 (E_RNA)
where:
Base-Base interactions energy: -26.474
where: short stacking energy: -25.699
Base-Backbone interact. energy: -0.472
local terms energy: -50.186678
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -6.110
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: 184
Temperature: 1.300000
Total energy: -74.844639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.844639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.844639 (E_RNA)
where:
Base-Base interactions energy: -23.551
where: short stacking energy: -23.551
Base-Backbone interact. energy: -0.315
local terms energy: -50.978345
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: 1.038
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: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -71.737305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.737305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.737305 (E_RNA)
where:
Base-Base interactions energy: -21.700
where: short stacking energy: -16.766
Base-Backbone interact. energy: -0.194
local terms energy: -49.843171
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -217.934822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.934822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.934822 (E_RNA)
where:
Base-Base interactions energy: -136.255
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.005
local terms energy: -81.675206
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -22.816
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: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -206.245947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.245947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.245947 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.001
local terms energy: -70.519800
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -21.230
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: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -207.056874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.056874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.056874 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -57.914
Base-Backbone interact. energy: -0.000
local terms energy: -68.508412
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -172.180719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.180719 (E_RNA)
where:
Base-Base interactions energy: -112.750
where: short stacking energy: -50.939
Base-Backbone interact. energy: -0.005
local terms energy: -59.425609
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -8.087
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: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -152.647113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.647113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.647113 (E_RNA)
where:
Base-Base interactions energy: -84.574
where: short stacking energy: -40.921
Base-Backbone interact. energy: -0.016
local terms energy: -68.056791
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -98.104300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.104300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.104300 (E_RNA)
where:
Base-Base interactions energy: -48.115
where: short stacking energy: -26.818
Base-Backbone interact. energy: 0.759
local terms energy: -50.748405
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -5.576
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: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -89.844149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.844149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.844149 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -36.243
Base-Backbone interact. energy: -0.038
local terms energy: -53.562991
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -79.275736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.275736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.275736 (E_RNA)
where:
Base-Base interactions energy: -25.993
where: short stacking energy: -21.233
Base-Backbone interact. energy: -0.134
local terms energy: -53.149202
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -9.477
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: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -72.408823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.408823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.408823 (E_RNA)
where:
Base-Base interactions energy: -27.096
where: short stacking energy: -15.221
Base-Backbone interact. energy: 0.596
local terms energy: -45.909108
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: 2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -70.894800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.894800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.894800 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.284
local terms energy: -42.197677
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -204.997964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997964 (E_RNA)
where:
Base-Base interactions energy: -138.362
where: short stacking energy: -60.227
Base-Backbone interact. energy: -0.290
local terms energy: -66.345742
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -193.638325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.638325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.638325 (E_RNA)
where:
Base-Base interactions energy: -122.574
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.137
local terms energy: -70.928272
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -203.717638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.717638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.717638 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.056
local terms energy: -62.993679
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -6.559
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.466
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: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -162.586777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.586777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.586777 (E_RNA)
where:
Base-Base interactions energy: -100.895
where: short stacking energy: -39.790
Base-Backbone interact. energy: -0.095
local terms energy: -61.596430
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -174.470965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.470965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.470965 (E_RNA)
where:
Base-Base interactions energy: -110.741
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.363
local terms energy: -63.366967
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -12.756
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -87.862919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.862919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.862919 (E_RNA)
where:
Base-Base interactions energy: -29.975
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.161
local terms energy: -57.726765
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -8.152
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: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -89.268848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.268848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.268848 (E_RNA)
where:
Base-Base interactions energy: -40.971
where: short stacking energy: -37.420
Base-Backbone interact. energy: -0.353
local terms energy: -47.945175
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -7.685
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -83.044153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.044153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.044153 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.028
local terms energy: -45.154985
where:
bonds (distance) C4'-P energy: -5.181
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -75.514453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514453 (E_RNA)
where:
Base-Base interactions energy: -24.735
where: short stacking energy: -11.216
Base-Backbone interact. energy: -0.231
local terms energy: -50.548313
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -69.752046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.752046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.752046 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -22.274
Base-Backbone interact. energy: 0.122
local terms energy: -39.531517
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -208.233420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.233420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.233420 (E_RNA)
where:
Base-Base interactions energy: -137.554
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.001
local terms energy: -70.677521
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.782
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: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -198.036930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.036930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.036930 (E_RNA)
where:
Base-Base interactions energy: -131.016
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.008
local terms energy: -67.013122
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -193.444171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.444171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.444171 (E_RNA)
where:
Base-Base interactions energy: -126.234
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.020
local terms energy: -67.190318
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -182.888016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888016 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -50.972
Base-Backbone interact. energy: -0.037
local terms energy: -64.206098
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -164.159946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.159946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.159946 (E_RNA)
where:
Base-Base interactions energy: -106.475
where: short stacking energy: -44.661
Base-Backbone interact. energy: -0.117
local terms energy: -57.567625
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -92.527692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527692 (E_RNA)
where:
Base-Base interactions energy: -36.045
where: short stacking energy: -31.875
Base-Backbone interact. energy: 0.397
local terms energy: -56.879630
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -90.591780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.591780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.591780 (E_RNA)
where:
Base-Base interactions energy: -35.738
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.005
local terms energy: -54.848828
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.234
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: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -96.570517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.570517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.570517 (E_RNA)
where:
Base-Base interactions energy: -52.812
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.072
local terms energy: -43.687091
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -1.964
flat angles P-C4'-P energy: -8.179
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: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -71.367892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.367892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.367892 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.258
local terms energy: -44.503910
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -5.753
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -73.820279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.820279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.820279 (E_RNA)
where:
Base-Base interactions energy: -26.402
where: short stacking energy: -12.974
Base-Backbone interact. energy: -0.109
local terms energy: -47.309893
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -204.405904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405904 (E_RNA)
where:
Base-Base interactions energy: -136.188
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.099
local terms energy: -68.118714
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -205.788969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788969 (E_RNA)
where:
Base-Base interactions energy: -139.519
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.217
local terms energy: -66.052604
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -18.724
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: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -186.663514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.663514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.663514 (E_RNA)
where:
Base-Base interactions energy: -114.951
where: short stacking energy: -50.308
Base-Backbone interact. energy: -0.017
local terms energy: -71.694984
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -189.452069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.452069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.452069 (E_RNA)
where:
Base-Base interactions energy: -126.253
where: short stacking energy: -53.418
Base-Backbone interact. energy: -0.314
local terms energy: -62.885567
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -148.009142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.009142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.009142 (E_RNA)
where:
Base-Base interactions energy: -85.151
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.062
local terms energy: -62.795973
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -93.794437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.794437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.794437 (E_RNA)
where:
Base-Base interactions energy: -38.447
where: short stacking energy: -38.165
Base-Backbone interact. energy: -0.029
local terms energy: -55.318455
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -5.243
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: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -123.200161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.200161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.200161 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.004
local terms energy: -48.224934
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -82.589327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.589327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.589327 (E_RNA)
where:
Base-Base interactions energy: -28.633
where: short stacking energy: -24.142
Base-Backbone interact. energy: -0.075
local terms energy: -53.881353
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -71.027769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.027769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.027769 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -32.358
Base-Backbone interact. energy: -0.300
local terms energy: -38.369522
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -75.115857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.115857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.115857 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.198
local terms energy: -42.556345
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -3.538
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: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -202.903588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.903588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.903588 (E_RNA)
where:
Base-Base interactions energy: -134.820
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.039
local terms energy: -68.044541
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -15.503
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -203.197379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.197379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.197379 (E_RNA)
where:
Base-Base interactions energy: -132.698
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.062
local terms energy: -70.437819
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -185.064973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.064973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.064973 (E_RNA)
where:
Base-Base interactions energy: -119.825
where: short stacking energy: -54.844
Base-Backbone interact. energy: -0.165
local terms energy: -65.074476
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -182.559877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.559877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.559877 (E_RNA)
where:
Base-Base interactions energy: -116.984
where: short stacking energy: -47.156
Base-Backbone interact. energy: -0.009
local terms energy: -65.566549
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -6.519
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: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -162.025546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.025546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.025546 (E_RNA)
where:
Base-Base interactions energy: -94.536
where: short stacking energy: -48.182
Base-Backbone interact. energy: -0.282
local terms energy: -67.208025
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -14.762
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: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -89.920095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.920095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.920095 (E_RNA)
where:
Base-Base interactions energy: -38.700
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.076
local terms energy: -51.143615
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -79.322950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.322950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.322950 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -23.885
Base-Backbone interact. energy: -0.080
local terms energy: -48.111412
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -80.436924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.436924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.436924 (E_RNA)
where:
Base-Base interactions energy: -24.303
where: short stacking energy: -19.953
Base-Backbone interact. energy: -0.145
local terms energy: -55.988741
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -82.326298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.326298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.326298 (E_RNA)
where:
Base-Base interactions energy: -31.150
where: short stacking energy: -19.980
Base-Backbone interact. energy: -0.131
local terms energy: -51.045925
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.465
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: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -72.424320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.424320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.424320 (E_RNA)
where:
Base-Base interactions energy: -25.916
where: short stacking energy: -22.457
Base-Backbone interact. energy: -0.054
local terms energy: -46.454647
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -218.209559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.209559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.209559 (E_RNA)
where:
Base-Base interactions energy: -143.338
where: short stacking energy: -66.320
Base-Backbone interact. energy: -0.635
local terms energy: -74.236853
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.388
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: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -201.449099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.449099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.449099 (E_RNA)
where:
Base-Base interactions energy: -132.907
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.001
local terms energy: -68.541581
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -8.334
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: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -195.107180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.107180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107180 (E_RNA)
where:
Base-Base interactions energy: -122.662
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.005
local terms energy: -72.440543
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.945
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: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -175.010777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.010777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.010777 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.063
local terms energy: -60.031449
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.883
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: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -170.772223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.772223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.772223 (E_RNA)
where:
Base-Base interactions energy: -105.107
where: short stacking energy: -44.398
Base-Backbone interact. energy: -0.002
local terms energy: -65.663583
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -9.801
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: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -82.250347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.250347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.250347 (E_RNA)
where:
Base-Base interactions energy: -31.320
where: short stacking energy: -27.686
Base-Backbone interact. energy: -0.496
local terms energy: -50.434603
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -88.259652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259652 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.059
local terms energy: -55.212481
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -89.311050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.311050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.311050 (E_RNA)
where:
Base-Base interactions energy: -45.641
where: short stacking energy: -31.020
Base-Backbone interact. energy: -0.013
local terms energy: -43.656401
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -8.387
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -74.057016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.057016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.057016 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -19.482
Base-Backbone interact. energy: 0.287
local terms energy: -41.198743
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -0.732
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: 190
Temperature: 1.350000
Total energy: -81.683627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.683627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.683627 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -17.707
Base-Backbone interact. energy: 0.673
local terms energy: -47.272843
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -212.199100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.199100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.199100 (E_RNA)
where:
Base-Base interactions energy: -138.729
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.127
local terms energy: -73.342987
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -192.245149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.245149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.245149 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.101
local terms energy: -67.621177
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -207.890408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.890408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.890408 (E_RNA)
where:
Base-Base interactions energy: -132.248
where: short stacking energy: -55.840
Base-Backbone interact. energy: -0.004
local terms energy: -75.638489
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -162.626281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.626281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.626281 (E_RNA)
where:
Base-Base interactions energy: -103.546
where: short stacking energy: -45.008
Base-Backbone interact. energy: -0.064
local terms energy: -59.016052
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -9.674
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: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -162.030674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.030674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.030674 (E_RNA)
where:
Base-Base interactions energy: -98.912
where: short stacking energy: -43.477
Base-Backbone interact. energy: -0.001
local terms energy: -63.117381
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -91.099577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.099577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.099577 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.156
local terms energy: -49.606653
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -10.241
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: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -87.169383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.169383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.169383 (E_RNA)
where:
Base-Base interactions energy: -31.772
where: short stacking energy: -26.548
Base-Backbone interact. energy: -0.043
local terms energy: -55.354066
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -104.288590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.288590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.288590 (E_RNA)
where:
Base-Base interactions energy: -53.012
where: short stacking energy: -28.563
Base-Backbone interact. energy: 0.282
local terms energy: -51.558266
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -88.561200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.561200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.561200 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.198
local terms energy: -54.192160
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.461
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: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -72.710812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.710812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.710812 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -18.269
Base-Backbone interact. energy: -0.062
local terms energy: -45.758852
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -0.698
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: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -206.780047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.780047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.780047 (E_RNA)
where:
Base-Base interactions energy: -136.411
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.052
local terms energy: -70.316945
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -6.589
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: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -204.392722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.392722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.392722 (E_RNA)
where:
Base-Base interactions energy: -134.932
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.015
local terms energy: -69.445847
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -169.228390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.228390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.228390 (E_RNA)
where:
Base-Base interactions energy: -102.431
where: short stacking energy: -47.845
Base-Backbone interact. energy: -0.027
local terms energy: -66.770846
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.206
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: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -191.004349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.004349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.004349 (E_RNA)
where:
Base-Base interactions energy: -126.537
where: short stacking energy: -53.179
Base-Backbone interact. energy: -0.001
local terms energy: -64.466566
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -145.093748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.093748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.093748 (E_RNA)
where:
Base-Base interactions energy: -90.708
where: short stacking energy: -45.155
Base-Backbone interact. energy: -0.032
local terms energy: -54.354443
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -98.079299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.079299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.079299 (E_RNA)
where:
Base-Base interactions energy: -48.829
where: short stacking energy: -35.904
Base-Backbone interact. energy: -0.062
local terms energy: -49.188500
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -115.221322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.221322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.221322 (E_RNA)
where:
Base-Base interactions energy: -65.965
where: short stacking energy: -38.693
Base-Backbone interact. energy: -0.175
local terms energy: -49.080997
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -6.125
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -8.928
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: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -90.309935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309935 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -20.820
Base-Backbone interact. energy: -0.195
local terms energy: -58.670035
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -91.122851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.122851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.122851 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -21.821
Base-Backbone interact. energy: -0.966
local terms energy: -53.108506
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -71.596194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.596194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.596194 (E_RNA)
where:
Base-Base interactions energy: -30.882
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.144
local terms energy: -40.570420
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -0.427
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: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -206.115459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.115459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.115459 (E_RNA)
where:
Base-Base interactions energy: -134.100
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.093
local terms energy: -71.922521
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -195.004822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.004822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.004822 (E_RNA)
where:
Base-Base interactions energy: -126.523
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.093
local terms energy: -68.388086
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -11.856
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: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -182.670234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.670234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.670234 (E_RNA)
where:
Base-Base interactions energy: -122.299
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.001
local terms energy: -60.370356
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -16.316
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: 193
Temperature: 1.050000
Total energy: -197.283616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.283616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.283616 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.002
local terms energy: -71.813880
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -17.105
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: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -159.998467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.998467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.998467 (E_RNA)
where:
Base-Base interactions energy: -101.789
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.195
local terms energy: -58.014383
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -94.862334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.862334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.862334 (E_RNA)
where:
Base-Base interactions energy: -51.055
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.040
local terms energy: -43.767875
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -0.749
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: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -101.835138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.835138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.835138 (E_RNA)
where:
Base-Base interactions energy: -58.656
where: short stacking energy: -27.876
Base-Backbone interact. energy: -0.130
local terms energy: -43.049360
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: 1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -90.737096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.737096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.737096 (E_RNA)
where:
Base-Base interactions energy: -45.026
where: short stacking energy: -23.613
Base-Backbone interact. energy: 1.231
local terms energy: -46.942332
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -5.190
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: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -82.295322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.295322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.295322 (E_RNA)
where:
Base-Base interactions energy: -34.565
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.077
local terms energy: -47.653559
where:
bonds (distance) C4'-P energy: -7.352
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -11.529
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -71.565097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.565097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.565097 (E_RNA)
where:
Base-Base interactions energy: -27.259
where: short stacking energy: -26.300
Base-Backbone interact. energy: -0.140
local terms energy: -44.166558
where:
bonds (distance) C4'-P energy: -8.029
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.998
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: 194
Temperature: 0.900000
Total energy: -209.726196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.726196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.726196 (E_RNA)
where:
Base-Base interactions energy: -136.046
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.055
local terms energy: -73.624776
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -21.551
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -206.059409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.059409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.059409 (E_RNA)
where:
Base-Base interactions energy: -142.121
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.099
local terms energy: -63.839426
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -194.347994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.347994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.347994 (E_RNA)
where:
Base-Base interactions energy: -130.910
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.104
local terms energy: -63.334144
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -17.953
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -171.782138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.782138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.782138 (E_RNA)
where:
Base-Base interactions energy: -120.303
where: short stacking energy: -51.337
Base-Backbone interact. energy: -0.503
local terms energy: -50.976084
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -173.030495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.030495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.030495 (E_RNA)
where:
Base-Base interactions energy: -108.084
where: short stacking energy: -48.245
Base-Backbone interact. energy: -1.157
local terms energy: -63.789101
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -107.507127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.507127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.507127 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.363
local terms energy: -56.476154
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -93.978232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.978232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.978232 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -30.631
Base-Backbone interact. energy: -0.084
local terms energy: -57.861554
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -92.401669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401669 (E_RNA)
where:
Base-Base interactions energy: -42.750
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.047
local terms energy: -49.604836
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -5.414
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -77.204540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.204540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.204540 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -23.588
Base-Backbone interact. energy: -0.986
local terms energy: -40.530891
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -74.668415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.668415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.668415 (E_RNA)
where:
Base-Base interactions energy: -28.825
where: short stacking energy: -25.782
Base-Backbone interact. energy: -0.112
local terms energy: -45.731383
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -214.091513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.091513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.091513 (E_RNA)
where:
Base-Base interactions energy: -145.093
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.006
local terms energy: -68.992497
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -197.369237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.369237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.369237 (E_RNA)
where:
Base-Base interactions energy: -123.282
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.001
local terms energy: -74.086501
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -194.236174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.236174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.236174 (E_RNA)
where:
Base-Base interactions energy: -130.730
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.086
local terms energy: -63.419465
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -17.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -173.879477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.879477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.879477 (E_RNA)
where:
Base-Base interactions energy: -111.236
where: short stacking energy: -55.033
Base-Backbone interact. energy: 0.344
local terms energy: -62.987884
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -7.621
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -171.884835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.884835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.884835 (E_RNA)
where:
Base-Base interactions energy: -111.054
where: short stacking energy: -53.287
Base-Backbone interact. energy: -0.475
local terms energy: -60.355907
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -7.939
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: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -106.565610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.565610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.565610 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -29.668
Base-Backbone interact. energy: -0.053
local terms energy: -54.891700
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -80.004784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.004784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.004784 (E_RNA)
where:
Base-Base interactions energy: -25.183
where: short stacking energy: -23.075
Base-Backbone interact. energy: -0.373
local terms energy: -54.449010
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -5.719
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: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -92.398096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.398096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.398096 (E_RNA)
where:
Base-Base interactions energy: -44.218
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.150
local terms energy: -48.030018
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -79.954226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.954226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.954226 (E_RNA)
where:
Base-Base interactions energy: -35.833
where: short stacking energy: -34.968
Base-Backbone interact. energy: -0.119
local terms energy: -44.002356
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -5.546
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -70.683250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.683250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.683250 (E_RNA)
where:
Base-Base interactions energy: -30.903
where: short stacking energy: -30.903
Base-Backbone interact. energy: -0.129
local terms energy: -39.650958
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -3.774
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: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -213.674384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.674384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.674384 (E_RNA)
where:
Base-Base interactions energy: -135.591
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.003
local terms energy: -78.080512
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -12.075
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: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -195.502483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.502483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.502483 (E_RNA)
where:
Base-Base interactions energy: -133.397
where: short stacking energy: -50.610
Base-Backbone interact. energy: -1.184
local terms energy: -60.921373
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -186.470856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.470856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.470856 (E_RNA)
where:
Base-Base interactions energy: -121.283
where: short stacking energy: -51.410
Base-Backbone interact. energy: -0.808
local terms energy: -64.379457
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -189.047453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.047453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.047453 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -58.479
Base-Backbone interact. energy: -0.002
local terms energy: -70.684780
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -170.779184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.779184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.779184 (E_RNA)
where:
Base-Base interactions energy: -101.734
where: short stacking energy: -45.944
Base-Backbone interact. energy: -0.269
local terms energy: -68.776077
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -106.556778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.556778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.556778 (E_RNA)
where:
Base-Base interactions energy: -60.331
where: short stacking energy: -32.093
Base-Backbone interact. energy: -0.251
local terms energy: -45.975356
where:
bonds (distance) C4'-P energy: -8.557
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -0.761
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: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -88.378091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.378091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.378091 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -28.595
Base-Backbone interact. energy: 0.154
local terms energy: -49.565998
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -0.978
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: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -86.720562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720562 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -34.071
Base-Backbone interact. energy: -0.192
local terms energy: -48.851871
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -82.136440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136440 (E_RNA)
where:
Base-Base interactions energy: -38.283
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.655
local terms energy: -43.198713
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -66.665958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.665958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.665958 (E_RNA)
where:
Base-Base interactions energy: -18.064
where: short stacking energy: -18.064
Base-Backbone interact. energy: -0.515
local terms energy: -48.087336
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -8.742
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -205.201869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.201869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.201869 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -58.995
Base-Backbone interact. energy: -0.004
local terms energy: -69.254153
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -197.036606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.036606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.036606 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -56.485
Base-Backbone interact. energy: 1.105
local terms energy: -72.678885
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.577
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: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -179.859268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.859268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.859268 (E_RNA)
where:
Base-Base interactions energy: -109.547
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.041
local terms energy: -70.270931
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -14.225
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: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -157.704092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.704092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.704092 (E_RNA)
where:
Base-Base interactions energy: -94.602
where: short stacking energy: -41.678
Base-Backbone interact. energy: -0.013
local terms energy: -63.089247
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -8.496
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: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -175.753551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.753551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.753551 (E_RNA)
where:
Base-Base interactions energy: -112.100
where: short stacking energy: -50.069
Base-Backbone interact. energy: -0.201
local terms energy: -63.452003
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -89.573647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.573647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.573647 (E_RNA)
where:
Base-Base interactions energy: -43.328
where: short stacking energy: -31.893
Base-Backbone interact. energy: -0.116
local terms energy: -46.129734
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -6.789
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -81.343781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.343781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.343781 (E_RNA)
where:
Base-Base interactions energy: -40.550
where: short stacking energy: -32.842
Base-Backbone interact. energy: -0.908
local terms energy: -39.885765
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -3.083
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: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -92.108041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108041 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.761
local terms energy: -57.016580
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -74.981177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.981177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.981177 (E_RNA)
where:
Base-Base interactions energy: -26.228
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.020
local terms energy: -48.733788
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -83.017868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017868 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -22.319
Base-Backbone interact. energy: 0.278
local terms energy: -50.663923
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -10.095
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: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -203.011075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011075 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -63.173
Base-Backbone interact. energy: 0.357
local terms energy: -73.891656
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -17.075
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: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -206.953602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.953602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.953602 (E_RNA)
where:
Base-Base interactions energy: -136.008
where: short stacking energy: -61.036
Base-Backbone interact. energy: -0.000
local terms energy: -70.945358
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -18.225
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -163.374412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.374412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.374412 (E_RNA)
where:
Base-Base interactions energy: -97.717
where: short stacking energy: -39.222
Base-Backbone interact. energy: -0.423
local terms energy: -65.234114
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -8.784
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: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -171.309742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.309742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.309742 (E_RNA)
where:
Base-Base interactions energy: -104.681
where: short stacking energy: -41.421
Base-Backbone interact. energy: -0.114
local terms energy: -66.514285
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -94.820505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.820505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.820505 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -29.420
Base-Backbone interact. energy: -0.979
local terms energy: -53.211770
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -6.275
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: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -180.580980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.580980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.580980 (E_RNA)
where:
Base-Base interactions energy: -118.557
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.130
local terms energy: -61.894079
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -15.790
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: 198
Temperature: 1.200000
Total energy: -81.974278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974278 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.068
local terms energy: -47.911280
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -3.552
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: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -88.375542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.375542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.375542 (E_RNA)
where:
Base-Base interactions energy: -34.209
where: short stacking energy: -28.210
Base-Backbone interact. energy: -0.875
local terms energy: -53.291481
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -77.205420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.205420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.205420 (E_RNA)
where:
Base-Base interactions energy: -29.786
where: short stacking energy: -29.786
Base-Backbone interact. energy: -0.122
local terms energy: -47.297384
where:
bonds (distance) C4'-P energy: -5.940
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -4.240
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: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -81.713996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.713996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.713996 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -30.243
Base-Backbone interact. energy: -0.190
local terms energy: -50.389473
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -210.391837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391837 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -63.715
Base-Backbone interact. energy: -0.069
local terms energy: -68.760511
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.413
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: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -202.959796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959796 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -57.679
Base-Backbone interact. energy: 0.761
local terms energy: -66.953930
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -158.623974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.623974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.623974 (E_RNA)
where:
Base-Base interactions energy: -99.951
where: short stacking energy: -34.255
Base-Backbone interact. energy: 0.541
local terms energy: -59.214312
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -169.232624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.232624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.232624 (E_RNA)
where:
Base-Base interactions energy: -97.333
where: short stacking energy: -47.537
Base-Backbone interact. energy: -0.001
local terms energy: -71.898963
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -125.322406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.322406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.322406 (E_RNA)
where:
Base-Base interactions energy: -70.673
where: short stacking energy: -37.025
Base-Backbone interact. energy: 0.910
local terms energy: -55.558634
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -7.622
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: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -176.411726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.411726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.411726 (E_RNA)
where:
Base-Base interactions energy: -109.837
where: short stacking energy: -53.984
Base-Backbone interact. energy: -0.001
local terms energy: -66.574546
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -17.278
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: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -85.059698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.059698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.059698 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -22.194
Base-Backbone interact. energy: -0.191
local terms energy: -50.045493
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -2.483
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: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -97.251620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.251620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.251620 (E_RNA)
where:
Base-Base interactions energy: -56.435
where: short stacking energy: -26.554
Base-Backbone interact. energy: 0.198
local terms energy: -41.015138
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -11.346
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -80.157576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.157576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.157576 (E_RNA)
where:
Base-Base interactions energy: -27.594
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.003
local terms energy: -52.560887
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -77.735771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.735771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.735771 (E_RNA)
where:
Base-Base interactions energy: -29.726
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.097
local terms energy: -47.912316
where:
bonds (distance) C4'-P energy: -6.631
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -210.131917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.131917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.131917 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -66.543
Base-Backbone interact. energy: -0.240
local terms energy: -67.109318
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -19.932
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: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -204.341233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.341233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.341233 (E_RNA)
where:
Base-Base interactions energy: -131.231
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.079
local terms energy: -73.031122
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -19.515
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: 200
Temperature: 1.000000
Total energy: -177.749347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.749347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.749347 (E_RNA)
where:
Base-Base interactions energy: -109.661
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.000
local terms energy: -68.088196
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -5.547
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: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -168.034919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.034919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.034919 (E_RNA)
where:
Base-Base interactions energy: -114.877
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.249
local terms energy: -52.909058
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -12.538
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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -182.230144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.230144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.230144 (E_RNA)
where:
Base-Base interactions energy: -118.847
where: short stacking energy: -49.654
Base-Backbone interact. energy: -0.010
local terms energy: -63.372526
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -116.088794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.088794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.088794 (E_RNA)
where:
Base-Base interactions energy: -64.707
where: short stacking energy: -42.123
Base-Backbone interact. energy: -0.213
local terms energy: -51.169378
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -81.402697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.402697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.402697 (E_RNA)
where:
Base-Base interactions energy: -31.372
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.211
local terms energy: -49.819173
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -80.407423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.407423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.407423 (E_RNA)
where:
Base-Base interactions energy: -27.598
where: short stacking energy: -27.598
Base-Backbone interact. energy: 1.423
local terms energy: -54.232256
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -67.618433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.618433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.618433 (E_RNA)
where:
Base-Base interactions energy: -24.905
where: short stacking energy: -24.905
Base-Backbone interact. energy: -0.108
local terms energy: -42.605714
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -8.130
flat angles P-C4'-P energy: -0.797
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -69.501689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.501689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.501689 (E_RNA)
where:
Base-Base interactions energy: -19.151
where: short stacking energy: -16.451
Base-Backbone interact. energy: -0.994
local terms energy: -49.355997
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -1.898
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: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -205.809199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809199 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -51.506
Base-Backbone interact. energy: -0.583
local terms energy: -78.875970
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -10.523
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: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -190.215798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.215798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.215798 (E_RNA)
where:
Base-Base interactions energy: -120.546
where: short stacking energy: -52.840
Base-Backbone interact. energy: -0.104
local terms energy: -69.565760
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -16.610
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -200.717969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.717969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.717969 (E_RNA)
where:
Base-Base interactions energy: -133.723
where: short stacking energy: -59.334
Base-Backbone interact. energy: 0.570
local terms energy: -67.564757
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -176.575336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.575336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.575336 (E_RNA)
where:
Base-Base interactions energy: -114.370
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.040
local terms energy: -62.165121
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -167.543415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.543415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.543415 (E_RNA)
where:
Base-Base interactions energy: -102.030
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.625
local terms energy: -64.888484
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -15.914
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: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -92.163481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.163481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.163481 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -30.514
Base-Backbone interact. energy: 1.763
local terms energy: -63.413441
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -94.553223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.553223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.553223 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -30.369
Base-Backbone interact. energy: -0.036
local terms energy: -51.963895
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -7.300
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: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -76.304328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.304328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.304328 (E_RNA)
where:
Base-Base interactions energy: -25.062
where: short stacking energy: -16.728
Base-Backbone interact. energy: -0.548
local terms energy: -50.695041
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -92.403896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403896 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -25.665
Base-Backbone interact. energy: -0.145
local terms energy: -55.583527
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -71.943365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.943365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.943365 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.629
local terms energy: -39.849120
where:
bonds (distance) C4'-P energy: -7.334
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -194.839353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.839353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.839353 (E_RNA)
where:
Base-Base interactions energy: -125.854
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.044
local terms energy: -68.941276
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -210.727134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.727134 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.116
local terms energy: -68.242696
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -172.157157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.157157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.157157 (E_RNA)
where:
Base-Base interactions energy: -108.493
where: short stacking energy: -49.948
Base-Backbone interact. energy: -0.003
local terms energy: -63.660971
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -195.044759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.044759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.044759 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.133
local terms energy: -66.438694
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -141.401207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.401207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.401207 (E_RNA)
where:
Base-Base interactions energy: -82.008
where: short stacking energy: -37.047
Base-Backbone interact. energy: -0.267
local terms energy: -59.126394
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -79.506690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.506690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.506690 (E_RNA)
where:
Base-Base interactions energy: -32.900
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.733
local terms energy: -45.874429
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: 0.698
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: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -96.498831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.498831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.498831 (E_RNA)
where:
Base-Base interactions energy: -37.556
where: short stacking energy: -37.556
Base-Backbone interact. energy: -0.144
local terms energy: -58.799079
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -87.700938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700938 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -24.891
Base-Backbone interact. energy: -0.708
local terms energy: -50.931309
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -74.489922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.489922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.489922 (E_RNA)
where:
Base-Base interactions energy: -29.919
where: short stacking energy: -20.879
Base-Backbone interact. energy: -0.470
local terms energy: -44.101130
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -2.356
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: 202
Temperature: 1.350000
Total energy: -73.324125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.324125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.324125 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.192
local terms energy: -38.220455
where:
bonds (distance) C4'-P energy: -6.819
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -1.291
tors. eta vs tors. theta energy: -6.979
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: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -201.601567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.601567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.601567 (E_RNA)
where:
Base-Base interactions energy: -131.861
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.001
local terms energy: -69.738579
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -192.361490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.361490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.361490 (E_RNA)
where:
Base-Base interactions energy: -124.787
where: short stacking energy: -50.251
Base-Backbone interact. energy: 0.187
local terms energy: -67.761596
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -13.145
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: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -162.651826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.651826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.651826 (E_RNA)
where:
Base-Base interactions energy: -107.458
where: short stacking energy: -49.753
Base-Backbone interact. energy: -0.126
local terms energy: -55.067434
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -7.629
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -196.322603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.322603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.322603 (E_RNA)
where:
Base-Base interactions energy: -138.289
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.134
local terms energy: -57.899537
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -10.050
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -0.690
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -160.231691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.231691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.231691 (E_RNA)
where:
Base-Base interactions energy: -104.633
where: short stacking energy: -40.071
Base-Backbone interact. energy: -0.085
local terms energy: -55.514124
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -6.174
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: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -94.202025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.202025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.202025 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.254
local terms energy: -52.856131
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -77.870104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.870104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.870104 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -30.528
Base-Backbone interact. energy: -0.009
local terms energy: -47.332377
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -140.864980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.864980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.864980 (E_RNA)
where:
Base-Base interactions energy: -85.861
where: short stacking energy: -41.072
Base-Backbone interact. energy: -0.125
local terms energy: -54.879634
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -78.344853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.344853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.344853 (E_RNA)
where:
Base-Base interactions energy: -38.011
where: short stacking energy: -20.295
Base-Backbone interact. energy: -0.831
local terms energy: -39.502834
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -72.459802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.459802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.459802 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -23.377
Base-Backbone interact. energy: -0.205
local terms energy: -48.046670
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -4.816
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: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -191.807034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.807034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.807034 (E_RNA)
where:
Base-Base interactions energy: -123.257
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.593
local terms energy: -67.957584
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -17.368
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: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -203.138832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.138832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.138832 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.001
local terms energy: -69.107509
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -17.846
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: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -190.567856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.567856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.567856 (E_RNA)
where:
Base-Base interactions energy: -115.914
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.003
local terms energy: -74.650856
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -166.869886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.869886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.869886 (E_RNA)
where:
Base-Base interactions energy: -98.952
where: short stacking energy: -44.900
Base-Backbone interact. energy: -0.713
local terms energy: -67.204944
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.563
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: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -162.785446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.785446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.785446 (E_RNA)
where:
Base-Base interactions energy: -94.485
where: short stacking energy: -47.346
Base-Backbone interact. energy: -0.003
local terms energy: -68.297031
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -93.577306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.577306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.577306 (E_RNA)
where:
Base-Base interactions energy: -39.506
where: short stacking energy: -37.491
Base-Backbone interact. energy: 2.083
local terms energy: -56.153649
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -156.143197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.143197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.143197 (E_RNA)
where:
Base-Base interactions energy: -97.689
where: short stacking energy: -47.737
Base-Backbone interact. energy: -0.009
local terms energy: -58.445281
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -4.382
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: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -122.069304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.069304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.069304 (E_RNA)
where:
Base-Base interactions energy: -66.451
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.306
local terms energy: -55.312365
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -7.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -75.836813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.836813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.836813 (E_RNA)
where:
Base-Base interactions energy: -30.320
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.450
local terms energy: -45.066680
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -79.710506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.710506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.710506 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -26.638
Base-Backbone interact. energy: -0.005
local terms energy: -48.304535
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -200.074194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.074194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.074194 (E_RNA)
where:
Base-Base interactions energy: -130.841
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.063
local terms energy: -69.170157
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -211.196351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.196351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.196351 (E_RNA)
where:
Base-Base interactions energy: -136.357
where: short stacking energy: -58.289
Base-Backbone interact. energy: -0.844
local terms energy: -73.995447
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -194.328039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.328039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.328039 (E_RNA)
where:
Base-Base interactions energy: -126.728
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.419
local terms energy: -67.181175
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -165.885388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.885388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.885388 (E_RNA)
where:
Base-Base interactions energy: -107.252
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.109
local terms energy: -58.523975
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -14.346
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: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -196.340264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.340264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.340264 (E_RNA)
where:
Base-Base interactions energy: -126.609
where: short stacking energy: -66.002
Base-Backbone interact. energy: -0.002
local terms energy: -69.729472
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -17.921
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: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -130.906517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.906517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.906517 (E_RNA)
where:
Base-Base interactions energy: -77.085
where: short stacking energy: -32.933
Base-Backbone interact. energy: -0.469
local terms energy: -53.352466
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -10.179
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: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -85.508929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.508929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.508929 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -27.544
Base-Backbone interact. energy: -0.211
local terms energy: -50.914485
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -81.686669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686669 (E_RNA)
where:
Base-Base interactions energy: -41.936
where: short stacking energy: -23.493
Base-Backbone interact. energy: -0.550
local terms energy: -39.200580
where:
bonds (distance) C4'-P energy: -4.117
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: 1.694
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: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -84.187456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.187456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.187456 (E_RNA)
where:
Base-Base interactions energy: -40.439
where: short stacking energy: -25.032
Base-Backbone interact. energy: -0.808
local terms energy: -42.940230
where:
bonds (distance) C4'-P energy: -7.285
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -4.412
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: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -73.777772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.777772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.777772 (E_RNA)
where:
Base-Base interactions energy: -30.946
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.104
local terms energy: -42.727483
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -7.406
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -213.482958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.482958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.482958 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.136
local terms energy: -70.567840
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -203.034619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.034619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.034619 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.722
local terms energy: -71.658439
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -19.117
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: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -170.627882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.627882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.627882 (E_RNA)
where:
Base-Base interactions energy: -105.712
where: short stacking energy: -44.876
Base-Backbone interact. energy: -0.115
local terms energy: -64.800996
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -174.527757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.527757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.527757 (E_RNA)
where:
Base-Base interactions energy: -110.716
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.127
local terms energy: -63.684703
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -17.412
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: 206
Temperature: 1.100000
Total energy: -133.755760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.755760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.755760 (E_RNA)
where:
Base-Base interactions energy: -73.653
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.783
local terms energy: -59.320367
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -8.742
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: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -177.806012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.806012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.806012 (E_RNA)
where:
Base-Base interactions energy: -110.782
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.128
local terms energy: -66.896015
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -90.356288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.356288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.356288 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.050
local terms energy: -53.181529
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -82.611140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.611140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.611140 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.934
local terms energy: -54.132901
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -2.995
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: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -80.364237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.364237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.364237 (E_RNA)
where:
Base-Base interactions energy: -25.664
where: short stacking energy: -16.841
Base-Backbone interact. energy: -0.235
local terms energy: -54.464646
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -76.944545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.944545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.944545 (E_RNA)
where:
Base-Base interactions energy: -32.307
where: short stacking energy: -28.337
Base-Backbone interact. energy: 0.043
local terms energy: -44.679789
where:
bonds (distance) C4'-P energy: -5.393
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -215.762747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.762747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.762747 (E_RNA)
where:
Base-Base interactions energy: -147.544
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.268
local terms energy: -67.951197
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -19.598
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: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -204.992851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.992851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.992851 (E_RNA)
where:
Base-Base interactions energy: -137.654
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.141
local terms energy: -67.198176
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -178.128628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.128628 (E_RNA)
where:
Base-Base interactions energy: -107.166
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.058
local terms energy: -70.904485
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.066
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: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -173.916150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.916150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.916150 (E_RNA)
where:
Base-Base interactions energy: -112.403
where: short stacking energy: -43.605
Base-Backbone interact. energy: -0.483
local terms energy: -61.029993
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -146.878324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.878324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.878324 (E_RNA)
where:
Base-Base interactions energy: -88.499
where: short stacking energy: -39.829
Base-Backbone interact. energy: 0.520
local terms energy: -58.899265
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -166.375522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.375522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.375522 (E_RNA)
where:
Base-Base interactions energy: -105.246
where: short stacking energy: -47.917
Base-Backbone interact. energy: -0.898
local terms energy: -60.231438
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -5.232
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: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -88.104655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104655 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -27.128
Base-Backbone interact. energy: 2.131
local terms energy: -54.102058
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -8.488
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -86.447619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.447619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.447619 (E_RNA)
where:
Base-Base interactions energy: -29.338
where: short stacking energy: -29.338
Base-Backbone interact. energy: -0.077
local terms energy: -57.033342
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -6.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -79.047877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.047877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.047877 (E_RNA)
where:
Base-Base interactions energy: -38.374
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.023
local terms energy: -40.650996
where:
bonds (distance) C4'-P energy: -5.322
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -64.139586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.139586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.139586 (E_RNA)
where:
Base-Base interactions energy: -25.858
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.100
local terms energy: -38.181467
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -7.970
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -202.738899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.738899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.738899 (E_RNA)
where:
Base-Base interactions energy: -133.205
where: short stacking energy: -55.054
Base-Backbone interact. energy: -0.168
local terms energy: -69.365442
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -205.223515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.223515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.223515 (E_RNA)
where:
Base-Base interactions energy: -129.747
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.005
local terms energy: -75.471420
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -165.478107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.478107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.478107 (E_RNA)
where:
Base-Base interactions energy: -100.814
where: short stacking energy: -32.146
Base-Backbone interact. energy: -0.002
local terms energy: -64.661780
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -10.308
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: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -175.500488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.500488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.500488 (E_RNA)
where:
Base-Base interactions energy: -107.824
where: short stacking energy: -44.789
Base-Backbone interact. energy: -0.022
local terms energy: -67.654538
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -134.503385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.503385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.503385 (E_RNA)
where:
Base-Base interactions energy: -84.682
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.365
local terms energy: -49.455666
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -133.294868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.294868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.294868 (E_RNA)
where:
Base-Base interactions energy: -80.005
where: short stacking energy: -40.001
Base-Backbone interact. energy: 0.075
local terms energy: -53.365161
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -11.166
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: 208
Temperature: 1.200000
Total energy: -82.527059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.527059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.527059 (E_RNA)
where:
Base-Base interactions energy: -35.265
where: short stacking energy: -31.702
Base-Backbone interact. energy: -0.067
local terms energy: -47.195406
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -4.542
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -5.288
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: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -96.270518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.270518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.270518 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.108
local terms energy: -56.676065
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -76.231816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.231816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.231816 (E_RNA)
where:
Base-Base interactions energy: -26.148
where: short stacking energy: -26.148
Base-Backbone interact. energy: 0.200
local terms energy: -50.283581
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -3.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -73.214643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.214643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.214643 (E_RNA)
where:
Base-Base interactions energy: -24.290
where: short stacking energy: -21.816
Base-Backbone interact. energy: 0.306
local terms energy: -49.230826
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -208.055350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055350 (E_RNA)
where:
Base-Base interactions energy: -143.121
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.528
local terms energy: -64.406840
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -209.717693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.717693 (E_RNA)
where:
Base-Base interactions energy: -136.937
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.151
local terms energy: -72.629583
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.875
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -181.466616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.466616 (E_RNA)
where:
Base-Base interactions energy: -115.848
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.214
local terms energy: -65.404436
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -155.387169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.387169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.387169 (E_RNA)
where:
Base-Base interactions energy: -90.439
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.271
local terms energy: -64.677537
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -140.999208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.999208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.999208 (E_RNA)
where:
Base-Base interactions energy: -81.042
where: short stacking energy: -47.163
Base-Backbone interact. energy: 0.077
local terms energy: -60.034372
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -95.173107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173107 (E_RNA)
where:
Base-Base interactions energy: -45.395
where: short stacking energy: -38.218
Base-Backbone interact. energy: -0.155
local terms energy: -49.623200
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -8.337
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: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -94.347489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.347489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.347489 (E_RNA)
where:
Base-Base interactions energy: -40.391
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.125
local terms energy: -53.831453
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -9.775
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: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -98.069121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.069121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.069121 (E_RNA)
where:
Base-Base interactions energy: -47.728
where: short stacking energy: -28.489
Base-Backbone interact. energy: 1.852
local terms energy: -52.192903
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -88.154270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.154270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.154270 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -28.359
Base-Backbone interact. energy: -1.804
local terms energy: -51.779866
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -7.267
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: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -74.628096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.628096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.628096 (E_RNA)
where:
Base-Base interactions energy: -24.712
where: short stacking energy: -24.712
Base-Backbone interact. energy: -0.126
local terms energy: -49.789593
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.797
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: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -212.198133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.198133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.198133 (E_RNA)
where:
Base-Base interactions energy: -141.351
where: short stacking energy: -69.968
Base-Backbone interact. energy: -0.043
local terms energy: -70.804656
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.054
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: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -201.084010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.084010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.084010 (E_RNA)
where:
Base-Base interactions energy: -132.979
where: short stacking energy: -64.606
Base-Backbone interact. energy: -0.000
local terms energy: -68.104785
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -189.108361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.108361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.108361 (E_RNA)
where:
Base-Base interactions energy: -116.467
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.009
local terms energy: -72.632404
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -176.691787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.691787 (E_RNA)
where:
Base-Base interactions energy: -117.185
where: short stacking energy: -51.568
Base-Backbone interact. energy: 2.910
local terms energy: -62.416860
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -139.513324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.513324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.513324 (E_RNA)
where:
Base-Base interactions energy: -86.623
where: short stacking energy: -45.561
Base-Backbone interact. energy: 0.424
local terms energy: -53.313908
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.617
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: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -92.614712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.614712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.614712 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -34.298
Base-Backbone interact. energy: -0.277
local terms energy: -50.359625
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -3.954
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: 210
Temperature: 1.200000
Total energy: -95.201709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.201709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.201709 (E_RNA)
where:
Base-Base interactions energy: -45.803
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.077
local terms energy: -49.321865
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -6.800
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: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -79.218160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218160 (E_RNA)
where:
Base-Base interactions energy: -32.196
where: short stacking energy: -14.713
Base-Backbone interact. energy: 1.375
local terms energy: -48.397506
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 2.190
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: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -76.402131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.402131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.402131 (E_RNA)
where:
Base-Base interactions energy: -32.195
where: short stacking energy: -19.419
Base-Backbone interact. energy: -0.173
local terms energy: -44.033532
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -90.029700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.029700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.029700 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -33.609
Base-Backbone interact. energy: -0.071
local terms energy: -56.349446
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -6.169
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: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -212.076977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.076977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.076977 (E_RNA)
where:
Base-Base interactions energy: -134.422
where: short stacking energy: -63.265
Base-Backbone interact. energy: -0.099
local terms energy: -77.555763
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -18.780
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: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -193.444541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.444541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.444541 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.000
local terms energy: -63.159518
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -180.827835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.827835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.827835 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -51.126
Base-Backbone interact. energy: 0.715
local terms energy: -66.626642
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -175.614698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.614698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.614698 (E_RNA)
where:
Base-Base interactions energy: -110.546
where: short stacking energy: -54.381
Base-Backbone interact. energy: 2.140
local terms energy: -67.208248
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -13.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -141.273851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.273851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.273851 (E_RNA)
where:
Base-Base interactions energy: -81.686
where: short stacking energy: -39.601
Base-Backbone interact. energy: -0.090
local terms energy: -59.498046
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -85.822863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.822863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.822863 (E_RNA)
where:
Base-Base interactions energy: -44.787
where: short stacking energy: -19.763
Base-Backbone interact. energy: -0.169
local terms energy: -40.866389
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -92.526736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526736 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -20.832
Base-Backbone interact. energy: -0.131
local terms energy: -54.144087
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -85.144911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144911 (E_RNA)
where:
Base-Base interactions energy: -30.139
where: short stacking energy: -30.139
Base-Backbone interact. energy: 0.080
local terms energy: -55.085812
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -80.325530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.325530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.325530 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -26.383
Base-Backbone interact. energy: 1.942
local terms energy: -46.298073
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -72.254064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.254064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.254064 (E_RNA)
where:
Base-Base interactions energy: -27.169
where: short stacking energy: -21.807
Base-Backbone interact. energy: -0.005
local terms energy: -45.080229
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -2.609
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: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -199.907432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.907432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.907432 (E_RNA)
where:
Base-Base interactions energy: -130.691
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.067
local terms energy: -69.149495
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -200.643747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.643747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.643747 (E_RNA)
where:
Base-Base interactions energy: -124.301
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.031
local terms energy: -76.311440
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -19.208
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: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -191.584113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.584113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.584113 (E_RNA)
where:
Base-Base interactions energy: -120.189
where: short stacking energy: -46.259
Base-Backbone interact. energy: -0.104
local terms energy: -71.291453
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -170.411699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.411699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.411699 (E_RNA)
where:
Base-Base interactions energy: -109.511
where: short stacking energy: -45.286
Base-Backbone interact. energy: -0.004
local terms energy: -60.897560
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -97.435413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.435413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.435413 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -36.765
Base-Backbone interact. energy: -0.016
local terms energy: -60.404895
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -6.175
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: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -111.879984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.879984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.879984 (E_RNA)
where:
Base-Base interactions energy: -56.991
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.149
local terms energy: -54.740032
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -5.520
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: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -88.446860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.446860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.446860 (E_RNA)
where:
Base-Base interactions energy: -34.892
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.089
local terms energy: -53.466542
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -78.791757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.791757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.791757 (E_RNA)
where:
Base-Base interactions energy: -31.524
where: short stacking energy: -24.403
Base-Backbone interact. energy: -0.079
local terms energy: -47.189297
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -6.124
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -77.636106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.636106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.636106 (E_RNA)
where:
Base-Base interactions energy: -29.135
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.089
local terms energy: -48.413075
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -79.808743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808743 (E_RNA)
where:
Base-Base interactions energy: -36.069
where: short stacking energy: -20.773
Base-Backbone interact. energy: -0.122
local terms energy: -43.618203
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -4.223
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: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -207.311904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.311904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.311904 (E_RNA)
where:
Base-Base interactions energy: -136.688
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.739
local terms energy: -69.885371
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.041
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: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -203.961235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.961235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.961235 (E_RNA)
where:
Base-Base interactions energy: -132.663
where: short stacking energy: -54.217
Base-Backbone interact. energy: -0.145
local terms energy: -71.153096
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -16.772
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: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -171.675614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.675614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.675614 (E_RNA)
where:
Base-Base interactions energy: -115.063
where: short stacking energy: -43.795
Base-Backbone interact. energy: -0.277
local terms energy: -56.335852
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -168.562911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.562911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.562911 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -47.075
Base-Backbone interact. energy: -0.029
local terms energy: -65.373504
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -14.426
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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -116.357415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.357415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.357415 (E_RNA)
where:
Base-Base interactions energy: -50.128
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.073
local terms energy: -66.155935
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -88.430626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430626 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -36.148
Base-Backbone interact. energy: -0.067
local terms energy: -47.722114
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -2.771
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: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -100.366528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.366528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.366528 (E_RNA)
where:
Base-Base interactions energy: -55.124
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.232
local terms energy: -45.010437
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -80.812072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.812072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.812072 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.007
local terms energy: -43.684329
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -83.617001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.617001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.617001 (E_RNA)
where:
Base-Base interactions energy: -34.953
where: short stacking energy: -25.822
Base-Backbone interact. energy: -0.184
local terms energy: -48.479880
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -2.155
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: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -74.212864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.212864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.212864 (E_RNA)
where:
Base-Base interactions energy: -25.282
where: short stacking energy: -23.209
Base-Backbone interact. energy: -0.346
local terms energy: -48.584751
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -211.502854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.502854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.502854 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.031
local terms energy: -73.689535
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -8.711
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: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -197.724008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.724008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.724008 (E_RNA)
where:
Base-Base interactions energy: -132.143
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.002
local terms energy: -65.579364
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -163.763580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.763580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.763580 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -46.462
Base-Backbone interact. energy: -0.103
local terms energy: -60.727727
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -150.542083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.542083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.542083 (E_RNA)
where:
Base-Base interactions energy: -92.569
where: short stacking energy: -40.652
Base-Backbone interact. energy: -0.173
local terms energy: -57.800255
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -123.609112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.609112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.609112 (E_RNA)
where:
Base-Base interactions energy: -56.403
where: short stacking energy: -38.699
Base-Backbone interact. energy: -1.891
local terms energy: -65.315546
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -89.877579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.877579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.877579 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.294
local terms energy: -54.150290
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -5.478
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: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -80.920511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.920511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.920511 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.045
local terms energy: -46.095285
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -83.156795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.156795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.156795 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -16.217
Base-Backbone interact. energy: -0.729
local terms energy: -42.375647
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: 0.471
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: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -76.725500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.725500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.725500 (E_RNA)
where:
Base-Base interactions energy: -31.877
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.421
local terms energy: -44.426841
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -83.600718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600718 (E_RNA)
where:
Base-Base interactions energy: -41.527
where: short stacking energy: -31.884
Base-Backbone interact. energy: -0.307
local terms energy: -41.766656
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -2.707
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: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -208.109433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.109433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.109433 (E_RNA)
where:
Base-Base interactions energy: -132.685
where: short stacking energy: -56.936
Base-Backbone interact. energy: -0.100
local terms energy: -75.324547
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -202.978751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.978751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.978751 (E_RNA)
where:
Base-Base interactions energy: -138.141
where: short stacking energy: -61.044
Base-Backbone interact. energy: -0.056
local terms energy: -64.781112
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -159.687456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.687456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.687456 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.049
local terms energy: -61.064454
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.661
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: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -149.094501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.094501 (E_RNA)
where:
Base-Base interactions energy: -90.696
where: short stacking energy: -40.356
Base-Backbone interact. energy: 0.957
local terms energy: -59.355523
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -130.341722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.341722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.341722 (E_RNA)
where:
Base-Base interactions energy: -79.491
where: short stacking energy: -37.507
Base-Backbone interact. energy: 0.864
local terms energy: -51.714525
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -4.988
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: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -92.426044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.426044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.426044 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -38.500
Base-Backbone interact. energy: -0.040
local terms energy: -53.806456
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -7.652
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: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -76.314393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.314393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.314393 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -30.481
Base-Backbone interact. energy: 0.170
local terms energy: -43.813982
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -6.702
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -3.793
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: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -87.375561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.375561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.375561 (E_RNA)
where:
Base-Base interactions energy: -32.897
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.010
local terms energy: -54.468071
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -80.186778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.186778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.186778 (E_RNA)
where:
Base-Base interactions energy: -26.849
where: short stacking energy: -23.774
Base-Backbone interact. energy: -0.105
local terms energy: -53.233019
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -87.723510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.723510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.723510 (E_RNA)
where:
Base-Base interactions energy: -41.182
where: short stacking energy: -21.171
Base-Backbone interact. energy: -0.260
local terms energy: -46.282146
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -7.301
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -211.089973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.089973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.089973 (E_RNA)
where:
Base-Base interactions energy: -135.215
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.000
local terms energy: -75.874773
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -216.293565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.293565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.293565 (E_RNA)
where:
Base-Base interactions energy: -137.028
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.061
local terms energy: -79.204559
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -20.646
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: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -172.878684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.878684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.878684 (E_RNA)
where:
Base-Base interactions energy: -109.691
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.525
local terms energy: -62.662426
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -7.764
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: 216
Temperature: 1.050000
Total energy: -153.975321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.975321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.975321 (E_RNA)
where:
Base-Base interactions energy: -92.299
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.105
local terms energy: -61.571504
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.690
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: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -175.009530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.009530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.009530 (E_RNA)
where:
Base-Base interactions energy: -111.093
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.201
local terms energy: -63.714789
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.762
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -87.013396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.013396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.013396 (E_RNA)
where:
Base-Base interactions energy: -27.722
where: short stacking energy: -27.722
Base-Backbone interact. energy: -0.276
local terms energy: -59.014998
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -85.721776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.721776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.721776 (E_RNA)
where:
Base-Base interactions energy: -23.561
where: short stacking energy: -23.561
Base-Backbone interact. energy: -0.028
local terms energy: -62.132542
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -7.662
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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -93.240242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.240242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.240242 (E_RNA)
where:
Base-Base interactions energy: -48.331
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.736
local terms energy: -44.172667
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -87.065479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065479 (E_RNA)
where:
Base-Base interactions energy: -41.053
where: short stacking energy: -23.424
Base-Backbone interact. energy: -0.249
local terms energy: -45.763585
where:
bonds (distance) C4'-P energy: -6.002
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -94.994790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994790 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -23.555
Base-Backbone interact. energy: -0.236
local terms energy: -44.267997
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -4.018
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: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -205.053985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.053985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.053985 (E_RNA)
where:
Base-Base interactions energy: -132.549
where: short stacking energy: -59.947
Base-Backbone interact. energy: 0.309
local terms energy: -72.814804
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -12.798
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -211.468354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468354 (E_RNA)
where:
Base-Base interactions energy: -143.579
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.001
local terms energy: -67.888776
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.458
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: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -194.680730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.680730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.680730 (E_RNA)
where:
Base-Base interactions energy: -132.976
where: short stacking energy: -48.784
Base-Backbone interact. energy: -0.044
local terms energy: -61.660886
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -12.062
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: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -191.686376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.686376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.686376 (E_RNA)
where:
Base-Base interactions energy: -124.728
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.003
local terms energy: -66.954687
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -161.227166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.227166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.227166 (E_RNA)
where:
Base-Base interactions energy: -98.538
where: short stacking energy: -47.968
Base-Backbone interact. energy: -0.848
local terms energy: -61.841148
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -95.914948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.914948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.914948 (E_RNA)
where:
Base-Base interactions energy: -39.363
where: short stacking energy: -36.457
Base-Backbone interact. energy: -0.162
local terms energy: -56.390241
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -90.243220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.243220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.243220 (E_RNA)
where:
Base-Base interactions energy: -30.439
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.953
local terms energy: -58.851257
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -6.081
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -86.635624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.635624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.635624 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -33.367
Base-Backbone interact. energy: -0.147
local terms energy: -47.400842
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -8.420
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -6.815
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: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -88.506719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.506719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.506719 (E_RNA)
where:
Base-Base interactions energy: -41.074
where: short stacking energy: -24.811
Base-Backbone interact. energy: -0.251
local terms energy: -47.182361
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -3.155
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: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -79.222034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.222034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.222034 (E_RNA)
where:
Base-Base interactions energy: -27.265
where: short stacking energy: -17.001
Base-Backbone interact. energy: -0.306
local terms energy: -51.651293
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -217.455278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.455278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.455278 (E_RNA)
where:
Base-Base interactions energy: -142.544
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.000
local terms energy: -74.910809
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -205.196428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.196428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196428 (E_RNA)
where:
Base-Base interactions energy: -133.998
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.083
local terms energy: -71.114829
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -20.718
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: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -189.031921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.031921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.031921 (E_RNA)
where:
Base-Base interactions energy: -123.662
where: short stacking energy: -56.861
Base-Backbone interact. energy: -0.001
local terms energy: -65.369569
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -194.632989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.632989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.632989 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.319
local terms energy: -66.431474
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -163.752419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.752419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.752419 (E_RNA)
where:
Base-Base interactions energy: -102.085
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.244
local terms energy: -61.423326
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -95.827991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.827991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.827991 (E_RNA)
where:
Base-Base interactions energy: -41.497
where: short stacking energy: -32.301
Base-Backbone interact. energy: -0.146
local terms energy: -54.184760
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -87.403616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.403616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.403616 (E_RNA)
where:
Base-Base interactions energy: -29.185
where: short stacking energy: -27.107
Base-Backbone interact. energy: -0.002
local terms energy: -58.216595
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -7.855
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: 218
Temperature: 1.250000
Total energy: -78.141446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.141446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.141446 (E_RNA)
where:
Base-Base interactions energy: -34.242
where: short stacking energy: -26.742
Base-Backbone interact. energy: -0.205
local terms energy: -43.694233
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -4.135
tors. eta vs tors. theta energy: 1.404
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: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -91.327015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.327015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.327015 (E_RNA)
where:
Base-Base interactions energy: -47.689
where: short stacking energy: -30.140
Base-Backbone interact. energy: -0.239
local terms energy: -43.398256
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -6.600
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -4.762
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: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -81.113326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.113326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.113326 (E_RNA)
where:
Base-Base interactions energy: -26.344
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.051
local terms energy: -54.718528
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -8.609
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: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -201.791812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.791812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.791812 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.400
local terms energy: -70.965932
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -199.972208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.972208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.972208 (E_RNA)
where:
Base-Base interactions energy: -130.676
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.042
local terms energy: -69.254000
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -202.490478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490478 (E_RNA)
where:
Base-Base interactions energy: -130.610
where: short stacking energy: -57.974
Base-Backbone interact. energy: -0.095
local terms energy: -71.784921
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -19.667
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: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -192.678824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.678824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.678824 (E_RNA)
where:
Base-Base interactions energy: -125.613
where: short stacking energy: -48.077
Base-Backbone interact. energy: -0.133
local terms energy: -66.932906
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -145.964221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.964221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.964221 (E_RNA)
where:
Base-Base interactions energy: -90.225
where: short stacking energy: -37.968
Base-Backbone interact. energy: -0.139
local terms energy: -55.600403
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -110.264616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.264616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.264616 (E_RNA)
where:
Base-Base interactions energy: -60.057
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.004
local terms energy: -50.204169
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -5.467
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: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -86.721742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.721742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.721742 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.104
local terms energy: -53.775214
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -86.876765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.876765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.876765 (E_RNA)
where:
Base-Base interactions energy: -27.981
where: short stacking energy: -27.981
Base-Backbone interact. energy: 0.614
local terms energy: -59.509687
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -80.355580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.355580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.355580 (E_RNA)
where:
Base-Base interactions energy: -34.284
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.244
local terms energy: -45.827856
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -2.284
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -86.422513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.422513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.422513 (E_RNA)
where:
Base-Base interactions energy: -35.341
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.294
local terms energy: -50.788113
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: 0.399
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: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -208.197696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.197696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.197696 (E_RNA)
where:
Base-Base interactions energy: -137.123
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.003
local terms energy: -71.071591
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -202.873877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.873877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.873877 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.008
local terms energy: -64.307429
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -17.531
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: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -200.981017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.981017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.981017 (E_RNA)
where:
Base-Base interactions energy: -131.864
where: short stacking energy: -52.010
Base-Backbone interact. energy: -0.106
local terms energy: -69.011210
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -13.200
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: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -194.313088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.313088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.313088 (E_RNA)
where:
Base-Base interactions energy: -122.516
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.051
local terms energy: -71.746305
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -20.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -168.422843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.422843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.422843 (E_RNA)
where:
Base-Base interactions energy: -105.667
where: short stacking energy: -47.108
Base-Backbone interact. energy: -0.414
local terms energy: -62.341686
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -17.402
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -93.021699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.021699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.021699 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -29.772
Base-Backbone interact. energy: -0.321
local terms energy: -59.180814
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -6.220
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: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -81.586768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.586768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.586768 (E_RNA)
where:
Base-Base interactions energy: -33.118
where: short stacking energy: -27.159
Base-Backbone interact. energy: -0.204
local terms energy: -48.264601
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -88.921737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.921737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.921737 (E_RNA)
where:
Base-Base interactions energy: -42.447
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.014
local terms energy: -46.461660
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -6.647
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: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -83.191216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191216 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -24.350
Base-Backbone interact. energy: -0.249
local terms energy: -41.949152
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -79.372174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.372174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.372174 (E_RNA)
where:
Base-Base interactions energy: -28.112
where: short stacking energy: -26.304
Base-Backbone interact. energy: -0.006
local terms energy: -51.253474
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -4.938
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: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -204.488568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.488568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.488568 (E_RNA)
where:
Base-Base interactions energy: -130.381
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.013
local terms energy: -74.094476
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -18.088
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: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -209.928335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.928335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.928335 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.000
local terms energy: -76.566884
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -169.067369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.067369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.067369 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.168
local terms energy: -60.177852
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -197.557463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.557463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557463 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.103
local terms energy: -64.320822
where:
bonds (distance) C4'-P energy: -6.367
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -160.356163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.356163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.356163 (E_RNA)
where:
Base-Base interactions energy: -98.070
where: short stacking energy: -39.191
Base-Backbone interact. energy: 0.295
local terms energy: -62.581235
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -6.734
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: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -90.731113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.731113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.731113 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.274
local terms energy: -48.271799
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -90.656601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.656601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.656601 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -32.575
Base-Backbone interact. energy: -0.439
local terms energy: -49.858881
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -6.666
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -88.106031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.106031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.106031 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.323
local terms energy: -33.942980
where:
bonds (distance) C4'-P energy: -3.974
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -1.654
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: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -65.714417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.714417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.714417 (E_RNA)
where:
Base-Base interactions energy: -18.581
where: short stacking energy: -15.534
Base-Backbone interact. energy: -0.277
local terms energy: -46.856802
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -9.698
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: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -65.911820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.911820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.911820 (E_RNA)
where:
Base-Base interactions energy: -23.273
where: short stacking energy: -6.200
Base-Backbone interact. energy: -0.704
local terms energy: -41.934644
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -209.798808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.798808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.798808 (E_RNA)
where:
Base-Base interactions energy: -138.347
where: short stacking energy: -64.357
Base-Backbone interact. energy: -0.013
local terms energy: -71.439174
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -208.031255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.031255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.031255 (E_RNA)
where:
Base-Base interactions energy: -137.697
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.097
local terms energy: -70.236517
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -21.349
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: 222
Temperature: 1.000000
Total energy: -201.695609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.695609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.695609 (E_RNA)
where:
Base-Base interactions energy: -130.366
where: short stacking energy: -64.616
Base-Backbone interact. energy: 0.067
local terms energy: -71.396867
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -14.001
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: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -158.968276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.968276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.968276 (E_RNA)
where:
Base-Base interactions energy: -100.530
where: short stacking energy: -36.939
Base-Backbone interact. energy: -0.015
local terms energy: -58.424074
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -141.167014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.167014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.167014 (E_RNA)
where:
Base-Base interactions energy: -90.525
where: short stacking energy: -34.881
Base-Backbone interact. energy: -0.621
local terms energy: -50.021562
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -91.056762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.056762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.056762 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -31.759
Base-Backbone interact. energy: -0.001
local terms energy: -54.687716
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -10.945
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: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -84.322861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.322861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.322861 (E_RNA)
where:
Base-Base interactions energy: -39.008
where: short stacking energy: -20.035
Base-Backbone interact. energy: -0.117
local terms energy: -45.198138
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: 2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -90.868028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868028 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -22.321
Base-Backbone interact. energy: -0.204
local terms energy: -50.513011
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -83.301527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.301527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.301527 (E_RNA)
where:
Base-Base interactions energy: -39.937
where: short stacking energy: -17.753
Base-Backbone interact. energy: -0.088
local terms energy: -43.276593
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -8.217
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: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -76.013926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.013926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.013926 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -24.054
Base-Backbone interact. energy: -1.184
local terms energy: -44.972933
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -209.045172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045172 (E_RNA)
where:
Base-Base interactions energy: -141.995
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.001
local terms energy: -67.048784
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -6.474
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: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -210.418156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.418156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.418156 (E_RNA)
where:
Base-Base interactions energy: -133.127
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.120
local terms energy: -77.170822
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.367
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: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -204.986253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.986253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.986253 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.084
local terms energy: -68.680572
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -6.308
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: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -160.185255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.185255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.185255 (E_RNA)
where:
Base-Base interactions energy: -94.007
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.139
local terms energy: -66.039056
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -11.330
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: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -147.096488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.096488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.096488 (E_RNA)
where:
Base-Base interactions energy: -83.806
where: short stacking energy: -37.944
Base-Backbone interact. energy: -0.055
local terms energy: -63.234900
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.739
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: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -96.107099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.107099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.107099 (E_RNA)
where:
Base-Base interactions energy: -47.391
where: short stacking energy: -27.904
Base-Backbone interact. energy: -0.028
local terms energy: -48.688002
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -5.058
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: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -119.156040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.156040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.156040 (E_RNA)
where:
Base-Base interactions energy: -60.808
where: short stacking energy: -32.775
Base-Backbone interact. energy: -0.358
local terms energy: -57.990305
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -87.954396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954396 (E_RNA)
where:
Base-Base interactions energy: -37.884
where: short stacking energy: -25.739
Base-Backbone interact. energy: -0.134
local terms energy: -49.936619
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -69.571781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.571781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.571781 (E_RNA)
where:
Base-Base interactions energy: -25.305
where: short stacking energy: -14.778
Base-Backbone interact. energy: -1.703
local terms energy: -42.564182
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: 3.865
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: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -87.575436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575436 (E_RNA)
where:
Base-Base interactions energy: -34.500
where: short stacking energy: -34.500
Base-Backbone interact. energy: -0.133
local terms energy: -52.941684
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -4.564
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: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -219.472250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.472250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.472250 (E_RNA)
where:
Base-Base interactions energy: -148.848
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.002
local terms energy: -70.621783
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -205.512029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.512029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.512029 (E_RNA)
where:
Base-Base interactions energy: -132.782
where: short stacking energy: -52.785
Base-Backbone interact. energy: -0.088
local terms energy: -72.641437
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.132
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -182.958578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.958578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.958578 (E_RNA)
where:
Base-Base interactions energy: -116.543
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.001
local terms energy: -66.415183
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -173.861016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.861016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.861016 (E_RNA)
where:
Base-Base interactions energy: -113.061
where: short stacking energy: -48.858
Base-Backbone interact. energy: -0.238
local terms energy: -60.561767
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -8.315
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: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -162.339116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.339116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.339116 (E_RNA)
where:
Base-Base interactions energy: -101.063
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.196
local terms energy: -61.080464
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -117.189791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.189791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.189791 (E_RNA)
where:
Base-Base interactions energy: -73.531
where: short stacking energy: -31.290
Base-Backbone interact. energy: 0.494
local terms energy: -44.153049
where:
bonds (distance) C4'-P energy: -5.633
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -96.469530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469530 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -37.544
Base-Backbone interact. energy: -0.050
local terms energy: -53.787930
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -6.170
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: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -80.382077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.382077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.382077 (E_RNA)
where:
Base-Base interactions energy: -31.867
where: short stacking energy: -16.652
Base-Backbone interact. energy: -0.063
local terms energy: -48.452784
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -71.097044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.097044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.097044 (E_RNA)
where:
Base-Base interactions energy: -20.910
where: short stacking energy: -20.910
Base-Backbone interact. energy: 2.285
local terms energy: -52.472697
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -1.743
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: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -73.302975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.302975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.302975 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -26.752
Base-Backbone interact. energy: 1.214
local terms energy: -45.758299
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -203.116268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.116268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.116268 (E_RNA)
where:
Base-Base interactions energy: -133.496
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.240
local terms energy: -69.381048
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -7.826
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: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -205.777436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.777436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.777436 (E_RNA)
where:
Base-Base interactions energy: -132.533
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.148
local terms energy: -73.096447
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.308
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: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -176.810616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.810616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.810616 (E_RNA)
where:
Base-Base interactions energy: -110.211
where: short stacking energy: -47.927
Base-Backbone interact. energy: -0.125
local terms energy: -66.474447
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -176.009978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.009978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.009978 (E_RNA)
where:
Base-Base interactions energy: -113.878
where: short stacking energy: -49.026
Base-Backbone interact. energy: -0.199
local terms energy: -61.932825
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -178.984398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.984398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.984398 (E_RNA)
where:
Base-Base interactions energy: -121.493
where: short stacking energy: -50.728
Base-Backbone interact. energy: -0.652
local terms energy: -56.839576
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -12.412
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: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -90.104025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104025 (E_RNA)
where:
Base-Base interactions energy: -46.015
where: short stacking energy: -38.498
Base-Backbone interact. energy: 0.044
local terms energy: -44.133060
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -4.578
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: 225
Temperature: 1.200000
Total energy: -132.585315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.585315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.585315 (E_RNA)
where:
Base-Base interactions energy: -89.122
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.301
local terms energy: -43.162626
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -9.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -89.333609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.333609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.333609 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -31.387
Base-Backbone interact. energy: -0.090
local terms energy: -54.463363
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -79.882726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882726 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -31.607
Base-Backbone interact. energy: -0.144
local terms energy: -48.131608
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -90.394458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394458 (E_RNA)
where:
Base-Base interactions energy: -46.166
where: short stacking energy: -20.155
Base-Backbone interact. energy: -0.447
local terms energy: -43.780582
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: 0.508
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: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -199.141995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.141995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.141995 (E_RNA)
where:
Base-Base interactions energy: -127.650
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.130
local terms energy: -71.362828
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -204.786821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.786821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.786821 (E_RNA)
where:
Base-Base interactions energy: -136.022
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.355
local terms energy: -68.410671
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.782
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: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -175.149637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.149637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.149637 (E_RNA)
where:
Base-Base interactions energy: -116.145
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.239
local terms energy: -58.765403
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -175.889111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.889111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.889111 (E_RNA)
where:
Base-Base interactions energy: -109.671
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.003
local terms energy: -66.215502
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -15.094
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: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -174.177482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.177482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.177482 (E_RNA)
where:
Base-Base interactions energy: -111.432
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.159
local terms energy: -62.586869
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -7.887
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: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -107.810506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.810506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.810506 (E_RNA)
where:
Base-Base interactions energy: -49.621
where: short stacking energy: -42.909
Base-Backbone interact. energy: -0.624
local terms energy: -57.565445
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -84.989418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.989418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.989418 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -33.661
Base-Backbone interact. energy: -0.485
local terms energy: -50.843822
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -10.030
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: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -86.839117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.839117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.839117 (E_RNA)
where:
Base-Base interactions energy: -38.078
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.215
local terms energy: -48.546574
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -74.548316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.548316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.548316 (E_RNA)
where:
Base-Base interactions energy: -30.328
where: short stacking energy: -21.512
Base-Backbone interact. energy: -0.416
local terms energy: -43.804905
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -68.288508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.288508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.288508 (E_RNA)
where:
Base-Base interactions energy: -17.508
where: short stacking energy: -17.508
Base-Backbone interact. energy: -0.013
local terms energy: -50.767045
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -4.139
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -201.892523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.892523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.892523 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.161
local terms energy: -70.217758
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -206.787959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.787959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.787959 (E_RNA)
where:
Base-Base interactions energy: -134.588
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.339
local terms energy: -71.861122
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -22.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -170.759745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.759745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.759745 (E_RNA)
where:
Base-Base interactions energy: -106.415
where: short stacking energy: -51.160
Base-Backbone interact. energy: -0.750
local terms energy: -63.595131
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.892
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: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -192.099982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.099982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.099982 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.166
local terms energy: -71.345740
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.630
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -174.146238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.146238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.146238 (E_RNA)
where:
Base-Base interactions energy: -104.248
where: short stacking energy: -48.512
Base-Backbone interact. energy: -0.223
local terms energy: -69.675421
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -104.138366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.138366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.138366 (E_RNA)
where:
Base-Base interactions energy: -55.090
where: short stacking energy: -29.607
Base-Backbone interact. energy: -0.112
local terms energy: -48.936856
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -87.867494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867494 (E_RNA)
where:
Base-Base interactions energy: -47.729
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.511
local terms energy: -39.628348
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -9.365
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: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -96.367411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.367411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.367411 (E_RNA)
where:
Base-Base interactions energy: -51.603
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.068
local terms energy: -44.695699
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -4.382
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: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -76.320566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.320566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.320566 (E_RNA)
where:
Base-Base interactions energy: -30.051
where: short stacking energy: -26.530
Base-Backbone interact. energy: -0.146
local terms energy: -46.123880
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -76.329547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.329547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.329547 (E_RNA)
where:
Base-Base interactions energy: -24.185
where: short stacking energy: -20.781
Base-Backbone interact. energy: -0.132
local terms energy: -52.012129
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -214.641832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.641832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.641832 (E_RNA)
where:
Base-Base interactions energy: -140.179
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.104
local terms energy: -74.358367
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.221
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: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -201.827144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.827144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.827144 (E_RNA)
where:
Base-Base interactions energy: -130.202
where: short stacking energy: -51.753
Base-Backbone interact. energy: 0.092
local terms energy: -71.716491
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -19.147
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: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -203.750369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.750369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.750369 (E_RNA)
where:
Base-Base interactions energy: -132.146
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.241
local terms energy: -71.363404
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -7.220
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: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -168.103082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.103082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.103082 (E_RNA)
where:
Base-Base interactions energy: -107.614
where: short stacking energy: -47.980
Base-Backbone interact. energy: -0.007
local terms energy: -60.481886
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -12.595
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: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -177.216854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.216854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.216854 (E_RNA)
where:
Base-Base interactions energy: -114.791
where: short stacking energy: -50.524
Base-Backbone interact. energy: -0.002
local terms energy: -62.423948
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -17.875
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: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -85.968302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.968302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.968302 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -34.966
Base-Backbone interact. energy: -0.129
local terms energy: -50.365847
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -83.607805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.607805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.607805 (E_RNA)
where:
Base-Base interactions energy: -35.586
where: short stacking energy: -30.180
Base-Backbone interact. energy: -0.489
local terms energy: -47.532766
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -87.272525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.272525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.272525 (E_RNA)
where:
Base-Base interactions energy: -41.708
where: short stacking energy: -38.195
Base-Backbone interact. energy: 3.726
local terms energy: -49.290143
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -73.199265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.199265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.199265 (E_RNA)
where:
Base-Base interactions energy: -22.490
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.142
local terms energy: -50.567226
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.349
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: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -74.516908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.516908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.516908 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -8.659
Base-Backbone interact. energy: -0.296
local terms energy: -42.760940
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -3.017
tors. eta vs tors. theta energy: 1.374
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: 229
Temperature: 0.900000
Total energy: -203.598751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.598751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.598751 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.043
local terms energy: -70.497279
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -201.655969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655969 (E_RNA)
where:
Base-Base interactions energy: -133.928
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.004
local terms energy: -67.724261
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -184.279155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.279155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.279155 (E_RNA)
where:
Base-Base interactions energy: -115.079
where: short stacking energy: -50.440
Base-Backbone interact. energy: -0.595
local terms energy: -68.605538
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -193.008687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.008687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.008687 (E_RNA)
where:
Base-Base interactions energy: -114.687
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.291
local terms energy: -78.031057
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -17.436
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: 229
Temperature: 1.100000
Total energy: -155.520480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.520480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.520480 (E_RNA)
where:
Base-Base interactions energy: -101.827
where: short stacking energy: -38.090
Base-Backbone interact. energy: -0.031
local terms energy: -53.662305
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -9.082
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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -111.805421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.805421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.805421 (E_RNA)
where:
Base-Base interactions energy: -55.978
where: short stacking energy: -36.119
Base-Backbone interact. energy: -0.024
local terms energy: -55.804187
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -7.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -87.400450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.400450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.400450 (E_RNA)
where:
Base-Base interactions energy: -29.372
where: short stacking energy: -29.372
Base-Backbone interact. energy: -0.111
local terms energy: -57.916687
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.204
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: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -78.154871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.154871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.154871 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -21.823
Base-Backbone interact. energy: -0.232
local terms energy: -48.449487
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: 1.469
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: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -79.009151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.009151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.009151 (E_RNA)
where:
Base-Base interactions energy: -29.807
where: short stacking energy: -29.807
Base-Backbone interact. energy: -0.211
local terms energy: -48.990888
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -1.632
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -71.312051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.312051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.312051 (E_RNA)
where:
Base-Base interactions energy: -21.144
where: short stacking energy: -21.144
Base-Backbone interact. energy: -0.247
local terms energy: -49.921616
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -9.629
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: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -210.261219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.261219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.261219 (E_RNA)
where:
Base-Base interactions energy: -134.825
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.000
local terms energy: -75.435568
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -20.847
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: 230
Temperature: 0.950000
Total energy: -193.342961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.342961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.342961 (E_RNA)
where:
Base-Base interactions energy: -126.600
where: short stacking energy: -56.272
Base-Backbone interact. energy: 0.597
local terms energy: -67.340064
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -14.581
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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -192.366140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.366140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366140 (E_RNA)
where:
Base-Base interactions energy: -122.491
where: short stacking energy: -52.965
Base-Backbone interact. energy: -0.092
local terms energy: -69.783934
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -170.933050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.933050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.933050 (E_RNA)
where:
Base-Base interactions energy: -115.266
where: short stacking energy: -52.964
Base-Backbone interact. energy: 1.235
local terms energy: -56.901442
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -146.799538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.799538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.799538 (E_RNA)
where:
Base-Base interactions energy: -84.482
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.003
local terms energy: -62.314991
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -92.051043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.051043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.051043 (E_RNA)
where:
Base-Base interactions energy: -42.488
where: short stacking energy: -18.931
Base-Backbone interact. energy: -0.537
local terms energy: -49.025833
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -86.545282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.545282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.545282 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -25.773
Base-Backbone interact. energy: 0.072
local terms energy: -49.694653
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -89.154575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154575 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -35.603
Base-Backbone interact. energy: -0.007
local terms energy: -52.831759
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -6.184
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: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -89.432900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.432900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.432900 (E_RNA)
where:
Base-Base interactions energy: -42.385
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.320
local terms energy: -46.727076
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -6.998
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: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -69.845645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.845645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.845645 (E_RNA)
where:
Base-Base interactions energy: -19.390
where: short stacking energy: -17.775
Base-Backbone interact. energy: -0.077
local terms energy: -50.378632
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -9.203
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -210.284395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.284395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.284395 (E_RNA)
where:
Base-Base interactions energy: -142.109
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.095
local terms energy: -68.080652
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -198.351158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.351158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.351158 (E_RNA)
where:
Base-Base interactions energy: -126.740
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.022
local terms energy: -71.588960
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -192.642044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.642044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.642044 (E_RNA)
where:
Base-Base interactions energy: -123.966
where: short stacking energy: -60.252
Base-Backbone interact. energy: -0.016
local terms energy: -68.660506
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -178.103710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.103710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.103710 (E_RNA)
where:
Base-Base interactions energy: -113.744
where: short stacking energy: -55.013
Base-Backbone interact. energy: -0.095
local terms energy: -64.264895
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -157.413629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.413629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.413629 (E_RNA)
where:
Base-Base interactions energy: -95.863
where: short stacking energy: -58.582
Base-Backbone interact. energy: 0.789
local terms energy: -62.338944
where:
bonds (distance) C4'-P energy: -6.254
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -92.054526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054526 (E_RNA)
where:
Base-Base interactions energy: -46.034
where: short stacking energy: -23.233
Base-Backbone interact. energy: -0.287
local terms energy: -45.733679
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: 3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -83.382221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.382221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.382221 (E_RNA)
where:
Base-Base interactions energy: -30.623
where: short stacking energy: -23.963
Base-Backbone interact. energy: -0.035
local terms energy: -52.723764
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -7.780
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: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -82.376578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.376578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.376578 (E_RNA)
where:
Base-Base interactions energy: -27.353
where: short stacking energy: -27.353
Base-Backbone interact. energy: -0.047
local terms energy: -54.976408
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.737
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: 231
Temperature: 1.300000
Total energy: -80.623746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.623746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.623746 (E_RNA)
where:
Base-Base interactions energy: -32.769
where: short stacking energy: -29.964
Base-Backbone interact. energy: -0.045
local terms energy: -47.809602
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -71.475901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.475901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.475901 (E_RNA)
where:
Base-Base interactions energy: -25.320
where: short stacking energy: -25.320
Base-Backbone interact. energy: 0.125
local terms energy: -46.281105
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -4.505
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: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -199.886378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.886378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.886378 (E_RNA)
where:
Base-Base interactions energy: -128.512
where: short stacking energy: -57.825
Base-Backbone interact. energy: -0.062
local terms energy: -71.312835
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -17.931
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -205.813714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.813714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.813714 (E_RNA)
where:
Base-Base interactions energy: -136.608
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.156
local terms energy: -69.049172
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -18.694
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -197.390336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.390336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.390336 (E_RNA)
where:
Base-Base interactions energy: -134.022
where: short stacking energy: -52.224
Base-Backbone interact. energy: -0.170
local terms energy: -63.197985
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.575
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: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -189.294719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.294719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.294719 (E_RNA)
where:
Base-Base interactions energy: -122.435
where: short stacking energy: -51.620
Base-Backbone interact. energy: -0.156
local terms energy: -66.704102
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.800
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: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -158.747176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.747176 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.037
local terms energy: -58.982076
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -86.040847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.040847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.040847 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -26.931
Base-Backbone interact. energy: -0.196
local terms energy: -53.358604
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -84.081295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.081295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.081295 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -41.361
Base-Backbone interact. energy: 0.809
local terms energy: -42.291256
where:
bonds (distance) C4'-P energy: -6.080
bonds (distance) P-C4' energy: -8.544
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -8.634
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: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -78.579770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.579770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.579770 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -25.251
Base-Backbone interact. energy: -0.106
local terms energy: -49.777711
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -83.256125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.256125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.256125 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -23.049
Base-Backbone interact. energy: 1.273
local terms energy: -52.120742
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -72.576947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.576947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.576947 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.260
local terms energy: -40.785055
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -1.399
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: 233
Temperature: 0.900000
Total energy: -212.206733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.206733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.206733 (E_RNA)
where:
Base-Base interactions energy: -141.026
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.106
local terms energy: -71.074609
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -5.678
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: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -195.246996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.246996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.246996 (E_RNA)
where:
Base-Base interactions energy: -131.548
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.171
local terms energy: -63.528504
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -14.750
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: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -202.931246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.931246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.931246 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.217
local terms energy: -70.612393
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -15.432
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: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -167.601819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.601819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.601819 (E_RNA)
where:
Base-Base interactions energy: -108.349
where: short stacking energy: -46.800
Base-Backbone interact. energy: -0.167
local terms energy: -59.086271
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -160.360888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.360888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.360888 (E_RNA)
where:
Base-Base interactions energy: -102.257
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.693
local terms energy: -57.411375
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -13.308
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -86.995842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.995842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.995842 (E_RNA)
where:
Base-Base interactions energy: -27.395
where: short stacking energy: -27.395
Base-Backbone interact. energy: -0.047
local terms energy: -59.553355
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -113.337527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.337527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.337527 (E_RNA)
where:
Base-Base interactions energy: -55.068
where: short stacking energy: -28.089
Base-Backbone interact. energy: -0.167
local terms energy: -58.103203
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -82.923307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923307 (E_RNA)
where:
Base-Base interactions energy: -33.137
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.103
local terms energy: -49.683173
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.415
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: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -76.839149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.839149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.839149 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -33.179
Base-Backbone interact. energy: 0.471
local terms energy: -44.130896
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -5.973
flat angles P-C4'-P energy: -3.066
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -76.361795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.361795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.361795 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -23.035
Base-Backbone interact. energy: -0.041
local terms energy: -44.382837
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -200.648267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.648267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.648267 (E_RNA)
where:
Base-Base interactions energy: -128.638
where: short stacking energy: -60.789
Base-Backbone interact. energy: -0.208
local terms energy: -71.802694
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -199.427816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.427816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.427816 (E_RNA)
where:
Base-Base interactions energy: -132.046
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.184
local terms energy: -67.197069
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -198.028572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.028572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.028572 (E_RNA)
where:
Base-Base interactions energy: -131.736
where: short stacking energy: -54.917
Base-Backbone interact. energy: -0.302
local terms energy: -65.990614
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -146.807810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.807810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.807810 (E_RNA)
where:
Base-Base interactions energy: -82.898
where: short stacking energy: -47.541
Base-Backbone interact. energy: -1.024
local terms energy: -62.885678
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -157.048968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.048968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.048968 (E_RNA)
where:
Base-Base interactions energy: -94.479
where: short stacking energy: -44.657
Base-Backbone interact. energy: -0.212
local terms energy: -62.358018
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -11.366
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -96.854091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.854091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.854091 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -37.673
Base-Backbone interact. energy: -0.933
local terms energy: -57.176317
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -9.084
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: 234
Temperature: 1.200000
Total energy: -86.415384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.415384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.415384 (E_RNA)
where:
Base-Base interactions energy: -43.798
where: short stacking energy: -21.670
Base-Backbone interact. energy: -1.160
local terms energy: -41.457325
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.636
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: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -92.919366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919366 (E_RNA)
where:
Base-Base interactions energy: -57.654
where: short stacking energy: -25.237
Base-Backbone interact. energy: 1.917
local terms energy: -37.181630
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -1.963
tors. eta vs tors. theta energy: 2.647
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: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -95.265134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.265134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.265134 (E_RNA)
where:
Base-Base interactions energy: -52.427
where: short stacking energy: -8.752
Base-Backbone interact. energy: 2.993
local terms energy: -45.831190
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -4.299
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: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -77.787958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.787958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.787958 (E_RNA)
where:
Base-Base interactions energy: -27.091
where: short stacking energy: -26.874
Base-Backbone interact. energy: 0.051
local terms energy: -50.747332
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -209.466600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.466600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.466600 (E_RNA)
where:
Base-Base interactions energy: -142.593
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.033
local terms energy: -66.840691
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -204.117808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.117808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.117808 (E_RNA)
where:
Base-Base interactions energy: -139.294
where: short stacking energy: -63.083
Base-Backbone interact. energy: -0.003
local terms energy: -64.820469
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -5.964
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -200.145450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.145450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.145450 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.001
local terms energy: -66.753098
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -155.874845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.874845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.874845 (E_RNA)
where:
Base-Base interactions energy: -96.587
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.001
local terms energy: -59.286688
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -149.241348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.241348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.241348 (E_RNA)
where:
Base-Base interactions energy: -84.711
where: short stacking energy: -41.319
Base-Backbone interact. energy: -0.129
local terms energy: -64.401183
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -92.605092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.605092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.605092 (E_RNA)
where:
Base-Base interactions energy: -35.723
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.221
local terms energy: -56.660498
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -90.157278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.157278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.157278 (E_RNA)
where:
Base-Base interactions energy: -34.580
where: short stacking energy: -25.970
Base-Backbone interact. energy: -0.068
local terms energy: -55.509711
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -5.625
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: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -80.485390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.485390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.485390 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -32.515
Base-Backbone interact. energy: 1.157
local terms energy: -49.126949
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -75.883309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.883309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.883309 (E_RNA)
where:
Base-Base interactions energy: -26.602
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.028
local terms energy: -49.253665
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -7.616
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: 2
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -79.417168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.417168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.417168 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -20.387
Base-Backbone interact. energy: -0.139
local terms energy: -49.592400
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -216.264998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.264998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.264998 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -60.514
Base-Backbone interact. energy: -0.062
local terms energy: -74.501683
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -203.151425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.151425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.151425 (E_RNA)
where:
Base-Base interactions energy: -132.742
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.002
local terms energy: -70.407122
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -19.463
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: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -194.864870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.864870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.864870 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -42.675
Base-Backbone interact. energy: -0.536
local terms energy: -71.695918
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -178.833758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.833758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.833758 (E_RNA)
where:
Base-Base interactions energy: -111.512
where: short stacking energy: -51.299
Base-Backbone interact. energy: -0.147
local terms energy: -67.175303
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -6.903
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: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -113.507920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.507920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.507920 (E_RNA)
where:
Base-Base interactions energy: -61.033
where: short stacking energy: -30.168
Base-Backbone interact. energy: -0.064
local terms energy: -52.411036
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -152.532760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.532760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.532760 (E_RNA)
where:
Base-Base interactions energy: -91.750
where: short stacking energy: -47.804
Base-Backbone interact. energy: -0.090
local terms energy: -60.693201
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -13.189
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: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -104.772449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772449 (E_RNA)
where:
Base-Base interactions energy: -53.071
where: short stacking energy: -20.681
Base-Backbone interact. energy: -0.215
local terms energy: -51.485992
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -2.329
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: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -83.971471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.971471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.971471 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.042
local terms energy: -52.240527
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -75.243279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.243279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.243279 (E_RNA)
where:
Base-Base interactions energy: -26.826
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.201
local terms energy: -48.216931
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -72.244921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.244921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.244921 (E_RNA)
where:
Base-Base interactions energy: -24.818
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.111
local terms energy: -47.316518
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -10.733
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -209.637902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.637902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.637902 (E_RNA)
where:
Base-Base interactions energy: -137.381
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.064
local terms energy: -72.193707
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -206.658969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.658969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.658969 (E_RNA)
where:
Base-Base interactions energy: -139.851
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.000
local terms energy: -66.808005
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -17.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -193.500182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500182 (E_RNA)
where:
Base-Base interactions energy: -123.565
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.589
local terms energy: -69.346399
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -15.113
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: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -176.200505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.200505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.200505 (E_RNA)
where:
Base-Base interactions energy: -107.124
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.055
local terms energy: -69.021204
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.814
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: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -103.303256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.303256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.303256 (E_RNA)
where:
Base-Base interactions energy: -51.416
where: short stacking energy: -27.049
Base-Backbone interact. energy: -0.082
local terms energy: -51.805589
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -4.901
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: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -160.291858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.291858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.291858 (E_RNA)
where:
Base-Base interactions energy: -100.448
where: short stacking energy: -51.111
Base-Backbone interact. energy: -0.054
local terms energy: -59.789355
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -84.584447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.584447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.584447 (E_RNA)
where:
Base-Base interactions energy: -28.029
where: short stacking energy: -24.497
Base-Backbone interact. energy: -0.324
local terms energy: -56.231090
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -11.589
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: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -92.237882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.237882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.237882 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.200
local terms energy: -58.093046
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -76.631651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.631651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.631651 (E_RNA)
where:
Base-Base interactions energy: -21.993
where: short stacking energy: -21.993
Base-Backbone interact. energy: -0.231
local terms energy: -54.407777
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -7.635
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: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -73.287102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.287102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.287102 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -16.717
Base-Backbone interact. energy: -0.108
local terms energy: -45.417021
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -4.804
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: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -211.374831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.374831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.374831 (E_RNA)
where:
Base-Base interactions energy: -134.550
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.098
local terms energy: -76.727311
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -208.935908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.935908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.935908 (E_RNA)
where:
Base-Base interactions energy: -136.624
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.107
local terms energy: -72.205262
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -190.541780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.541780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.541780 (E_RNA)
where:
Base-Base interactions energy: -121.308
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.001
local terms energy: -69.232803
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -167.470800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.470800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.470800 (E_RNA)
where:
Base-Base interactions energy: -102.524
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.012
local terms energy: -64.934844
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -158.882197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.882197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.882197 (E_RNA)
where:
Base-Base interactions energy: -99.725
where: short stacking energy: -47.151
Base-Backbone interact. energy: 1.881
local terms energy: -61.038156
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -81.869878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.869878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.869878 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -29.803
Base-Backbone interact. energy: -0.238
local terms energy: -44.732523
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -6.086
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: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -81.199798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.199798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.199798 (E_RNA)
where:
Base-Base interactions energy: -23.182
where: short stacking energy: -23.182
Base-Backbone interact. energy: -0.821
local terms energy: -57.196958
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -80.909444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.909444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.909444 (E_RNA)
where:
Base-Base interactions energy: -24.616
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.202
local terms energy: -56.091620
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -8.117
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -6.238
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: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -82.287918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.287918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.287918 (E_RNA)
where:
Base-Base interactions energy: -35.411
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.563
local terms energy: -46.314512
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -82.971915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.971915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.971915 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -25.230
Base-Backbone interact. energy: -0.196
local terms energy: -48.212160
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -208.724941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.724941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.724941 (E_RNA)
where:
Base-Base interactions energy: -137.351
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.260
local terms energy: -71.113936
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -199.403025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.403025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.403025 (E_RNA)
where:
Base-Base interactions energy: -125.064
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.276
local terms energy: -74.062782
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -194.474594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.474594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.474594 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.820
local terms energy: -73.801215
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -173.921904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.921904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.921904 (E_RNA)
where:
Base-Base interactions energy: -110.101
where: short stacking energy: -54.609
Base-Backbone interact. energy: 1.429
local terms energy: -65.250280
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -161.591822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.591822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.591822 (E_RNA)
where:
Base-Base interactions energy: -99.158
where: short stacking energy: -47.734
Base-Backbone interact. energy: -0.163
local terms energy: -62.270754
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -3.713
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -99.564607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.564607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.564607 (E_RNA)
where:
Base-Base interactions energy: -47.962
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.514
local terms energy: -51.088384
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -8.349
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: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -82.716900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716900 (E_RNA)
where:
Base-Base interactions energy: -31.436
where: short stacking energy: -31.436
Base-Backbone interact. energy: -0.627
local terms energy: -50.652968
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -7.474
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: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -89.155418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.155418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.155418 (E_RNA)
where:
Base-Base interactions energy: -37.855
where: short stacking energy: -34.577
Base-Backbone interact. energy: -0.036
local terms energy: -51.263888
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -3.726
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -74.166929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.166929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.166929 (E_RNA)
where:
Base-Base interactions energy: -28.802
where: short stacking energy: -27.052
Base-Backbone interact. energy: -0.371
local terms energy: -44.993814
where:
bonds (distance) C4'-P energy: -6.697
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -81.461764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.461764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.461764 (E_RNA)
where:
Base-Base interactions energy: -37.845
where: short stacking energy: -26.138
Base-Backbone interact. energy: -0.151
local terms energy: -43.465971
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -200.879569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.879569 (E_RNA)
where:
Base-Base interactions energy: -137.550
where: short stacking energy: -56.340
Base-Backbone interact. energy: -0.127
local terms energy: -63.202218
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -201.232826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.232826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.232826 (E_RNA)
where:
Base-Base interactions energy: -129.083
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.009
local terms energy: -72.140825
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -199.950889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.950889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.950889 (E_RNA)
where:
Base-Base interactions energy: -124.159
where: short stacking energy: -58.880
Base-Backbone interact. energy: -0.087
local terms energy: -75.704965
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -17.809
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: 240
Temperature: 1.050000
Total energy: -164.100422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.100422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.100422 (E_RNA)
where:
Base-Base interactions energy: -111.165
where: short stacking energy: -50.479
Base-Backbone interact. energy: -0.585
local terms energy: -52.349882
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -161.769020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.769020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.769020 (E_RNA)
where:
Base-Base interactions energy: -99.490
where: short stacking energy: -42.749
Base-Backbone interact. energy: -0.009
local terms energy: -62.269616
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.298
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: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -82.678382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.678382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.678382 (E_RNA)
where:
Base-Base interactions energy: -34.181
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.210
local terms energy: -48.287371
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -73.899089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.899089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.899089 (E_RNA)
where:
Base-Base interactions energy: -29.494
where: short stacking energy: -24.396
Base-Backbone interact. energy: -0.135
local terms energy: -44.269586
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -87.707659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707659 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -37.121
Base-Backbone interact. energy: -0.024
local terms energy: -47.547660
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -7.035
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -79.756478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.756478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.756478 (E_RNA)
where:
Base-Base interactions energy: -38.221
where: short stacking energy: -30.001
Base-Backbone interact. energy: -1.679
local terms energy: -39.856314
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -3.269
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -89.291053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291053 (E_RNA)
where:
Base-Base interactions energy: -43.407
where: short stacking energy: -29.037
Base-Backbone interact. energy: -1.480
local terms energy: -44.404508
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -1.228
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: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -202.832760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.832760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.832760 (E_RNA)
where:
Base-Base interactions energy: -132.780
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.756
local terms energy: -69.297619
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -17.450
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: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -196.344767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.344767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.344767 (E_RNA)
where:
Base-Base interactions energy: -124.280
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.105
local terms energy: -71.960016
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -195.822691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.822691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.822691 (E_RNA)
where:
Base-Base interactions energy: -131.449
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.096
local terms energy: -64.278001
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -181.744451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.744451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.744451 (E_RNA)
where:
Base-Base interactions energy: -117.375
where: short stacking energy: -57.999
Base-Backbone interact. energy: -0.013
local terms energy: -64.356263
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -15.039
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: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -175.030937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.030937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.030937 (E_RNA)
where:
Base-Base interactions energy: -107.726
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.057
local terms energy: -67.247216
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -97.614972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614972 (E_RNA)
where:
Base-Base interactions energy: -46.299
where: short stacking energy: -33.749
Base-Backbone interact. energy: 0.766
local terms energy: -52.082066
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -6.634
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: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -100.277125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.277125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.277125 (E_RNA)
where:
Base-Base interactions energy: -45.520
where: short stacking energy: -22.078
Base-Backbone interact. energy: -1.349
local terms energy: -53.408057
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -12.441
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: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -79.303802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.303802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.303802 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -17.401
Base-Backbone interact. energy: -0.365
local terms energy: -45.814383
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -75.073174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.073174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.073174 (E_RNA)
where:
Base-Base interactions energy: -35.716
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.262
local terms energy: -39.095065
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -0.385
tors. eta vs tors. theta energy: -1.240
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: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.787247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.787247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.787247 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -17.543
Base-Backbone interact. energy: -0.829
local terms energy: -46.889054
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -1.972
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: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -208.185782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.185782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.185782 (E_RNA)
where:
Base-Base interactions energy: -134.881
where: short stacking energy: -58.695
Base-Backbone interact. energy: -0.896
local terms energy: -72.409000
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -8.157
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: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -181.967719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.967719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.967719 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -54.394
Base-Backbone interact. energy: -0.004
local terms energy: -64.342761
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -17.213
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: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -176.828872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.828872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.828872 (E_RNA)
where:
Base-Base interactions energy: -117.122
where: short stacking energy: -47.104
Base-Backbone interact. energy: 0.208
local terms energy: -59.914879
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -188.508267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.508267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.508267 (E_RNA)
where:
Base-Base interactions energy: -117.487
where: short stacking energy: -52.547
Base-Backbone interact. energy: -0.576
local terms energy: -70.445829
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -17.922
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: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -178.250553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.250553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.250553 (E_RNA)
where:
Base-Base interactions energy: -108.929
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.076
local terms energy: -69.245636
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -16.800
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: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -102.157277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.157277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.157277 (E_RNA)
where:
Base-Base interactions energy: -47.608
where: short stacking energy: -32.532
Base-Backbone interact. energy: -0.032
local terms energy: -54.517772
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -6.298
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: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -93.425599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.425599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.425599 (E_RNA)
where:
Base-Base interactions energy: -38.877
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.018
local terms energy: -54.530089
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -2.115
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -88.803748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.803748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.803748 (E_RNA)
where:
Base-Base interactions energy: -31.385
where: short stacking energy: -31.385
Base-Backbone interact. energy: -0.113
local terms energy: -57.306107
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -77.125768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.125768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.125768 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.561
local terms energy: -43.461950
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -87.386337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.386337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.386337 (E_RNA)
where:
Base-Base interactions energy: -33.144
where: short stacking energy: -19.616
Base-Backbone interact. energy: -0.732
local terms energy: -53.510709
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -2.462
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -203.029802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.029802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.029802 (E_RNA)
where:
Base-Base interactions energy: -136.832
where: short stacking energy: -54.474
Base-Backbone interact. energy: -0.178
local terms energy: -66.019564
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -190.260676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.260676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.260676 (E_RNA)
where:
Base-Base interactions energy: -130.689
where: short stacking energy: -47.225
Base-Backbone interact. energy: -0.256
local terms energy: -59.315287
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -11.875
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: 243
Temperature: 1.000000
Total energy: -200.033836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.033836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.033836 (E_RNA)
where:
Base-Base interactions energy: -128.389
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.101
local terms energy: -71.543374
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -179.222104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.222104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.222104 (E_RNA)
where:
Base-Base interactions energy: -118.726
where: short stacking energy: -51.553
Base-Backbone interact. energy: -0.116
local terms energy: -60.379254
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -174.343397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.343397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.343397 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -57.267
Base-Backbone interact. energy: -0.002
local terms energy: -54.710292
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -7.941
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -8.283
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: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -98.547505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.547505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.547505 (E_RNA)
where:
Base-Base interactions energy: -48.393
where: short stacking energy: -38.781
Base-Backbone interact. energy: -1.351
local terms energy: -48.803195
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -3.617
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -11.937
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: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -80.117342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.117342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.117342 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -33.494
Base-Backbone interact. energy: 1.812
local terms energy: -48.435010
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -3.297
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -104.078103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.078103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.078103 (E_RNA)
where:
Base-Base interactions energy: -63.046
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.007
local terms energy: -41.025769
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -101.853439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.853439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.853439 (E_RNA)
where:
Base-Base interactions energy: -55.816
where: short stacking energy: -27.335
Base-Backbone interact. energy: 2.379
local terms energy: -48.416223
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -7.815
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: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -72.293657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.293657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.293657 (E_RNA)
where:
Base-Base interactions energy: -26.567
where: short stacking energy: -24.815
Base-Backbone interact. energy: -0.188
local terms energy: -45.538158
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -205.168608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.168608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.168608 (E_RNA)
where:
Base-Base interactions energy: -135.533
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.001
local terms energy: -69.634579
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -206.357358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.357358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.357358 (E_RNA)
where:
Base-Base interactions energy: -137.181
where: short stacking energy: -53.145
Base-Backbone interact. energy: -0.173
local terms energy: -69.003007
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -186.275925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.275925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.275925 (E_RNA)
where:
Base-Base interactions energy: -118.943
where: short stacking energy: -43.817
Base-Backbone interact. energy: -0.219
local terms energy: -67.113861
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -190.184292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.184292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.184292 (E_RNA)
where:
Base-Base interactions energy: -128.622
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.589
local terms energy: -60.973046
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -192.419263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.419263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.419263 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -57.496
Base-Backbone interact. energy: -0.103
local terms energy: -69.424654
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -87.115115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.115115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.115115 (E_RNA)
where:
Base-Base interactions energy: -32.643
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.283
local terms energy: -54.189553
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -84.914549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.914549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.914549 (E_RNA)
where:
Base-Base interactions energy: -37.571
where: short stacking energy: -30.915
Base-Backbone interact. energy: -0.264
local terms energy: -47.079748
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -5.645
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -78.506264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.506264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.506264 (E_RNA)
where:
Base-Base interactions energy: -32.665
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.022
local terms energy: -45.818927
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -96.334512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.334512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.334512 (E_RNA)
where:
Base-Base interactions energy: -56.748
where: short stacking energy: -26.472
Base-Backbone interact. energy: 2.802
local terms energy: -42.388608
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: 3.735
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -68.808570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.808570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.808570 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -28.687
Base-Backbone interact. energy: -0.232
local terms energy: -39.890019
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -8.520
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -0.868
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: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -213.301955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.301955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.301955 (E_RNA)
where:
Base-Base interactions energy: -140.700
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.009
local terms energy: -72.592565
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -179.634776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.634776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.634776 (E_RNA)
where:
Base-Base interactions energy: -122.164
where: short stacking energy: -47.483
Base-Backbone interact. energy: 0.584
local terms energy: -58.054983
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -10.788
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: 245
Temperature: 1.000000
Total energy: -202.994075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.994075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.994075 (E_RNA)
where:
Base-Base interactions energy: -134.123
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.335
local terms energy: -68.535413
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -192.604167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.604167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.604167 (E_RNA)
where:
Base-Base interactions energy: -127.628
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.156
local terms energy: -64.819721
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -14.580
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: 245
Temperature: 1.100000
Total energy: -176.705478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.705478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.705478 (E_RNA)
where:
Base-Base interactions energy: -116.166
where: short stacking energy: -43.843
Base-Backbone interact. energy: -0.525
local terms energy: -60.014776
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -11.484
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: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -111.761813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.761813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.761813 (E_RNA)
where:
Base-Base interactions energy: -48.692
where: short stacking energy: -47.574
Base-Backbone interact. energy: -0.056
local terms energy: -63.013822
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.470
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: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -81.068215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.068215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.068215 (E_RNA)
where:
Base-Base interactions energy: -29.416
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.132
local terms energy: -51.520080
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -81.413209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.413209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.413209 (E_RNA)
where:
Base-Base interactions energy: -26.070
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.588
local terms energy: -54.755629
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.118
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: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -70.786195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.786195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.786195 (E_RNA)
where:
Base-Base interactions energy: -26.329
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.279
local terms energy: -44.177853
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -6.229
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: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -83.253023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253023 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -28.888
Base-Backbone interact. energy: 0.021
local terms energy: -52.580277
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -7.475
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -203.674324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.674324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.674324 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.104
local terms energy: -70.554849
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.095
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: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -188.751820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.751820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.751820 (E_RNA)
where:
Base-Base interactions energy: -118.441
where: short stacking energy: -46.107
Base-Backbone interact. energy: 0.522
local terms energy: -70.832262
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -204.917447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.917447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.917447 (E_RNA)
where:
Base-Base interactions energy: -139.504
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.001
local terms energy: -65.412224
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -19.489
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: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -194.692304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.692304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.692304 (E_RNA)
where:
Base-Base interactions energy: -123.763
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.038
local terms energy: -70.890963
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -180.003523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.003523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.003523 (E_RNA)
where:
Base-Base interactions energy: -112.684
where: short stacking energy: -42.283
Base-Backbone interact. energy: -0.124
local terms energy: -67.196306
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -93.379922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.379922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.379922 (E_RNA)
where:
Base-Base interactions energy: -39.937
where: short stacking energy: -37.967
Base-Backbone interact. energy: -0.076
local terms energy: -53.366806
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -104.197434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.197434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.197434 (E_RNA)
where:
Base-Base interactions energy: -52.318
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.049
local terms energy: -51.829675
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -4.632
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: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -80.839635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839635 (E_RNA)
where:
Base-Base interactions energy: -26.771
where: short stacking energy: -24.195
Base-Backbone interact. energy: -0.266
local terms energy: -53.802270
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -82.552536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.552536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.552536 (E_RNA)
where:
Base-Base interactions energy: -33.258
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.207
local terms energy: -49.087548
where:
bonds (distance) C4'-P energy: -4.915
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -6.314
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: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -68.118143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.118143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.118143 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -14.072
Base-Backbone interact. energy: -0.446
local terms energy: -34.111161
where:
bonds (distance) C4'-P energy: -1.271
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -1.423
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: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -198.459709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.459709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.459709 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.006
local terms energy: -69.385580
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -185.019571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.019571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.019571 (E_RNA)
where:
Base-Base interactions energy: -123.559
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.117
local terms energy: -61.343783
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -203.025618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.025618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.025618 (E_RNA)
where:
Base-Base interactions energy: -135.563
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.154
local terms energy: -67.308808
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -201.657116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.657116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.657116 (E_RNA)
where:
Base-Base interactions energy: -132.444
where: short stacking energy: -56.889
Base-Backbone interact. energy: -0.001
local terms energy: -69.211480
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -163.693118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.693118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.693118 (E_RNA)
where:
Base-Base interactions energy: -99.984
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.021
local terms energy: -63.688131
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -107.633477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.633477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.633477 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -34.563
Base-Backbone interact. energy: -1.055
local terms energy: -60.713955
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -8.685
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: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -76.611389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.611389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.611389 (E_RNA)
where:
Base-Base interactions energy: -29.706
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.177
local terms energy: -46.728354
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -88.618421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.618421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.618421 (E_RNA)
where:
Base-Base interactions energy: -38.255
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.017
local terms energy: -50.346189
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -8.658
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: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -90.850610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.850610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.850610 (E_RNA)
where:
Base-Base interactions energy: -57.025
where: short stacking energy: -23.889
Base-Backbone interact. energy: -0.001
local terms energy: -33.824056
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -5.703
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -0.312
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: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -68.393050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.393050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.393050 (E_RNA)
where:
Base-Base interactions energy: -20.944
where: short stacking energy: -20.080
Base-Backbone interact. energy: -0.221
local terms energy: -47.227530
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -185.099776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.099776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.099776 (E_RNA)
where:
Base-Base interactions energy: -118.595
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.004
local terms energy: -66.500618
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -181.640125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.640125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.640125 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -48.736
Base-Backbone interact. energy: -0.123
local terms energy: -66.604535
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -13.231
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: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -194.853855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.853855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.853855 (E_RNA)
where:
Base-Base interactions energy: -126.647
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.004
local terms energy: -68.202676
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -204.146380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.146380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.146380 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.055
local terms energy: -66.782646
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -20.795
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: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -145.163779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.163779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.163779 (E_RNA)
where:
Base-Base interactions energy: -92.217
where: short stacking energy: -44.135
Base-Backbone interact. energy: 0.089
local terms energy: -53.035080
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -6.451
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: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -93.375088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.375088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.375088 (E_RNA)
where:
Base-Base interactions energy: -45.065
where: short stacking energy: -44.543
Base-Backbone interact. energy: -0.352
local terms energy: -47.958230
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -77.646397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.646397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.646397 (E_RNA)
where:
Base-Base interactions energy: -28.476
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.196
local terms energy: -48.974467
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -10.641
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: 248
Temperature: 1.250000
Total energy: -84.281265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.281265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.281265 (E_RNA)
where:
Base-Base interactions energy: -37.478
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.023
local terms energy: -46.779881
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -82.847282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.847282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.847282 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -15.912
Base-Backbone interact. energy: -0.160
local terms energy: -47.870185
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -71.388106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.388106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.388106 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -21.912
Base-Backbone interact. energy: -0.347
local terms energy: -38.163659
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -9.289
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: 2.494
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: 249
Temperature: 0.900000
Total energy: -209.214695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.214695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.214695 (E_RNA)
where:
Base-Base interactions energy: -134.855
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.209
local terms energy: -74.150338
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -185.605497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.605497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.605497 (E_RNA)
where:
Base-Base interactions energy: -116.492
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.003
local terms energy: -69.109852
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -166.182087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.182087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.182087 (E_RNA)
where:
Base-Base interactions energy: -102.133
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.344
local terms energy: -63.704961
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -9.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -149.161189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.161189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.161189 (E_RNA)
where:
Base-Base interactions energy: -99.677
where: short stacking energy: -53.684
Base-Backbone interact. energy: -0.028
local terms energy: -49.456637
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -185.226126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.226126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.226126 (E_RNA)
where:
Base-Base interactions energy: -124.289
where: short stacking energy: -52.770
Base-Backbone interact. energy: 0.458
local terms energy: -61.395255
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -14.033
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: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -107.386794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.386794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.386794 (E_RNA)
where:
Base-Base interactions energy: -59.951
where: short stacking energy: -33.259
Base-Backbone interact. energy: -0.084
local terms energy: -47.352422
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -4.072
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: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -98.839656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839656 (E_RNA)
where:
Base-Base interactions energy: -53.473
where: short stacking energy: -41.570
Base-Backbone interact. energy: 0.431
local terms energy: -45.797923
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -0.589
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -85.343493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343493 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.081
local terms energy: -54.337403
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.942
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: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -94.319047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.319047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.319047 (E_RNA)
where:
Base-Base interactions energy: -48.637
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.154
local terms energy: -45.527929
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -5.056
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: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -80.023809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.023809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.023809 (E_RNA)
where:
Base-Base interactions energy: -33.112
where: short stacking energy: -10.604
Base-Backbone interact. energy: -0.236
local terms energy: -46.675735
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -2.087
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: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -217.449419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.449419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.449419 (E_RNA)
where:
Base-Base interactions energy: -137.808
where: short stacking energy: -60.655
Base-Backbone interact. energy: -0.529
local terms energy: -79.112305
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -201.732933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.732933 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.612
local terms energy: -63.387581
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -17.317
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: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -171.018341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.018341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.018341 (E_RNA)
where:
Base-Base interactions energy: -114.364
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.043
local terms energy: -56.611120
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -5.149
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: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -154.399921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.399921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.399921 (E_RNA)
where:
Base-Base interactions energy: -87.934
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.216
local terms energy: -66.250499
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -10.756
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: 5, replica: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -179.294892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.294892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.294892 (E_RNA)
where:
Base-Base interactions energy: -112.810
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.663
local terms energy: -65.822244
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -111.951307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.951307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.951307 (E_RNA)
where:
Base-Base interactions energy: -58.058
where: short stacking energy: -15.763
Base-Backbone interact. energy: -0.279
local terms energy: -53.614440
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -102.747471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747471 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -24.267
Base-Backbone interact. energy: -0.300
local terms energy: -60.355257
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.548
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: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -88.638943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.638943 (E_RNA)
where:
Base-Base interactions energy: -35.310
where: short stacking energy: -26.791
Base-Backbone interact. energy: -0.026
local terms energy: -53.303269
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -2.495
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -95.482114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.482114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.482114 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.203
local terms energy: -56.672045
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -7.289
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: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -84.775253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775253 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.261
local terms energy: -48.331594
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -208.349243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.349243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.349243 (E_RNA)
where:
Base-Base interactions energy: -140.038
where: short stacking energy: -50.920
Base-Backbone interact. energy: -1.029
local terms energy: -67.282254
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -15.309
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: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -207.981155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.981155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.981155 (E_RNA)
where:
Base-Base interactions energy: -136.825
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.123
local terms energy: -71.032626
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -8.552
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: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -190.553005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.553005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.553005 (E_RNA)
where:
Base-Base interactions energy: -121.509
where: short stacking energy: -54.370
Base-Backbone interact. energy: -0.002
local terms energy: -69.042021
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -187.233185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.233185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.233185 (E_RNA)
where:
Base-Base interactions energy: -124.545
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.291
local terms energy: -62.397943
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -3.003
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: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -174.471825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.471825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.471825 (E_RNA)
where:
Base-Base interactions energy: -106.777
where: short stacking energy: -50.138
Base-Backbone interact. energy: -0.001
local terms energy: -67.693711
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -20.628
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: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -113.869902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.869902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.869902 (E_RNA)
where:
Base-Base interactions energy: -57.146
where: short stacking energy: -35.908
Base-Backbone interact. energy: 0.095
local terms energy: -56.818919
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -106.086685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.086685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.086685 (E_RNA)
where:
Base-Base interactions energy: -56.886
where: short stacking energy: -18.232
Base-Backbone interact. energy: -0.800
local terms energy: -48.400887
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -79.822573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822573 (E_RNA)
where:
Base-Base interactions energy: -33.400
where: short stacking energy: -30.389
Base-Backbone interact. energy: -0.190
local terms energy: -46.233276
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -75.538591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.538591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.538591 (E_RNA)
where:
Base-Base interactions energy: -37.464
where: short stacking energy: -14.590
Base-Backbone interact. energy: -0.729
local terms energy: -37.346013
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.310
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: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -78.828057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.828057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.828057 (E_RNA)
where:
Base-Base interactions energy: -31.807
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.479
local terms energy: -46.542514
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -210.653524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.653524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.653524 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.600
local terms energy: -69.634435
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -195.385515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.385515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.385515 (E_RNA)
where:
Base-Base interactions energy: -130.185
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.001
local terms energy: -65.199772
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -199.433481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.433481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.433481 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -59.145
Base-Backbone interact. energy: -0.005
local terms energy: -69.956456
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -6.305
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: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -145.156558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.156558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.156558 (E_RNA)
where:
Base-Base interactions energy: -86.421
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.200
local terms energy: -58.535841
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -175.298613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.298613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.298613 (E_RNA)
where:
Base-Base interactions energy: -110.208
where: short stacking energy: -48.379
Base-Backbone interact. energy: -0.000
local terms energy: -65.089985
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.450
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: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -150.352100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.352100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.352100 (E_RNA)
where:
Base-Base interactions energy: -99.986
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.238
local terms energy: -50.127467
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -7.597
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: 252
Temperature: 1.200000
Total energy: -102.835904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.835904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.835904 (E_RNA)
where:
Base-Base interactions energy: -48.853
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.068
local terms energy: -53.915066
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -5.688
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: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -89.462736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462736 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -36.529
Base-Backbone interact. energy: -0.180
local terms energy: -52.753458
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -7.161
flat angles P-C4'-P energy: -6.901
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: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -75.841077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.841077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.841077 (E_RNA)
where:
Base-Base interactions energy: -36.358
where: short stacking energy: -32.211
Base-Backbone interact. energy: -0.084
local terms energy: -39.398989
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -79.498136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.498136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.498136 (E_RNA)
where:
Base-Base interactions energy: -34.498
where: short stacking energy: -34.498
Base-Backbone interact. energy: 0.286
local terms energy: -45.286615
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -4.238
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: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -188.453534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.453534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.453534 (E_RNA)
where:
Base-Base interactions energy: -116.469
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.244
local terms energy: -71.739829
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.209
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: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -196.635728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.635728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.635728 (E_RNA)
where:
Base-Base interactions energy: -135.703
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.120
local terms energy: -60.812144
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.651
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: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -186.351983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.351983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.351983 (E_RNA)
where:
Base-Base interactions energy: -117.901
where: short stacking energy: -48.935
Base-Backbone interact. energy: -0.104
local terms energy: -68.346854
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -162.222097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.222097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.222097 (E_RNA)
where:
Base-Base interactions energy: -99.091
where: short stacking energy: -42.616
Base-Backbone interact. energy: -0.156
local terms energy: -62.975114
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -169.616273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.616273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.616273 (E_RNA)
where:
Base-Base interactions energy: -104.594
where: short stacking energy: -53.176
Base-Backbone interact. energy: -0.070
local terms energy: -64.952969
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -11.219
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: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -158.555528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.555528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.555528 (E_RNA)
where:
Base-Base interactions energy: -104.297
where: short stacking energy: -47.399
Base-Backbone interact. energy: -0.833
local terms energy: -53.425462
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -7.708
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: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -93.971207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971207 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.074
local terms energy: -49.291909
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.059
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: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -87.697698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.697698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.697698 (E_RNA)
where:
Base-Base interactions energy: -42.542
where: short stacking energy: -41.013
Base-Backbone interact. energy: -0.093
local terms energy: -45.063176
where:
bonds (distance) C4'-P energy: -4.339
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -102.317256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.317256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.317256 (E_RNA)
where:
Base-Base interactions energy: -52.020
where: short stacking energy: -27.488
Base-Backbone interact. energy: -0.032
local terms energy: -50.265271
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -76.246413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.246413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.246413 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.556
local terms energy: -41.380830
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -205.954838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.954838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.954838 (E_RNA)
where:
Base-Base interactions energy: -133.318
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.005
local terms energy: -72.631788
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.331
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: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -180.152267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.152267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.152267 (E_RNA)
where:
Base-Base interactions energy: -108.026
where: short stacking energy: -49.120
Base-Backbone interact. energy: -0.157
local terms energy: -71.968986
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.470
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: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -197.443795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.443795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.443795 (E_RNA)
where:
Base-Base interactions energy: -139.520
where: short stacking energy: -53.686
Base-Backbone interact. energy: 1.572
local terms energy: -59.495929
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -10.474
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: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -163.098488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.098488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.098488 (E_RNA)
where:
Base-Base interactions energy: -100.784
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.309
local terms energy: -62.005167
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -149.116555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.116555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.116555 (E_RNA)
where:
Base-Base interactions energy: -93.005
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.080
local terms energy: -56.031636
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -10.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -131.065581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.065581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.065581 (E_RNA)
where:
Base-Base interactions energy: -74.781
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.138
local terms energy: -56.146351
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -89.276318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.276318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.276318 (E_RNA)
where:
Base-Base interactions energy: -41.966
where: short stacking energy: -33.770
Base-Backbone interact. energy: -0.004
local terms energy: -47.306607
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -83.336293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.336293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.336293 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.118
local terms energy: -47.036421
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -81.640184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640184 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.433
local terms energy: -42.976060
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.260
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: 254
Temperature: 1.350000
Total energy: -69.004527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.004527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.004527 (E_RNA)
where:
Base-Base interactions energy: -25.879
where: short stacking energy: -23.039
Base-Backbone interact. energy: -0.157
local terms energy: -42.968952
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -4.505
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: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -204.234697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.234697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.234697 (E_RNA)
where:
Base-Base interactions energy: -135.903
where: short stacking energy: -63.853
Base-Backbone interact. energy: 0.316
local terms energy: -68.647999
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -185.021049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.021049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.021049 (E_RNA)
where:
Base-Base interactions energy: -117.447
where: short stacking energy: -46.687
Base-Backbone interact. energy: -0.412
local terms energy: -67.162464
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -12.372
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: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -179.497294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.497294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.497294 (E_RNA)
where:
Base-Base interactions energy: -121.984
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.098
local terms energy: -57.415541
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -154.079293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.079293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.079293 (E_RNA)
where:
Base-Base interactions energy: -89.551
where: short stacking energy: -41.859
Base-Backbone interact. energy: -0.083
local terms energy: -64.445128
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -162.157626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.157626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.157626 (E_RNA)
where:
Base-Base interactions energy: -98.989
where: short stacking energy: -38.478
Base-Backbone interact. energy: -0.466
local terms energy: -62.702459
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.363
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: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -97.698755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.698755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.698755 (E_RNA)
where:
Base-Base interactions energy: -49.966
where: short stacking energy: -33.600
Base-Backbone interact. energy: -0.019
local terms energy: -47.713499
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -110.907737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.907737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.907737 (E_RNA)
where:
Base-Base interactions energy: -58.293
where: short stacking energy: -32.773
Base-Backbone interact. energy: -0.076
local terms energy: -52.538823
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -80.947060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.947060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.947060 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -29.714
Base-Backbone interact. energy: -0.193
local terms energy: -48.161850
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -73.987336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.987336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.987336 (E_RNA)
where:
Base-Base interactions energy: -21.070
where: short stacking energy: -20.050
Base-Backbone interact. energy: -0.182
local terms energy: -52.735651
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -93.408569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.408569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.408569 (E_RNA)
where:
Base-Base interactions energy: -43.674
where: short stacking energy: -31.162
Base-Backbone interact. energy: -0.391
local terms energy: -49.343670
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -2.597
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -206.011712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.011712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.011712 (E_RNA)
where:
Base-Base interactions energy: -142.884
where: short stacking energy: -54.006
Base-Backbone interact. energy: -0.151
local terms energy: -62.975971
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -13.948
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: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -196.207265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.207265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.207265 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.117
local terms energy: -66.287177
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -185.561454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.561454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.561454 (E_RNA)
where:
Base-Base interactions energy: -123.032
where: short stacking energy: -51.162
Base-Backbone interact. energy: 0.015
local terms energy: -62.543697
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -164.746424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.746424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.746424 (E_RNA)
where:
Base-Base interactions energy: -109.313
where: short stacking energy: -48.849
Base-Backbone interact. energy: -0.084
local terms energy: -55.348564
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -9.232
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: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -166.240813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.240813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.240813 (E_RNA)
where:
Base-Base interactions energy: -106.466
where: short stacking energy: -56.438
Base-Backbone interact. energy: -0.076
local terms energy: -59.698536
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -97.628104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.628104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.628104 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -34.579
Base-Backbone interact. energy: 1.253
local terms energy: -59.196564
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -4.829
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: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -90.156740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.156740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.156740 (E_RNA)
where:
Base-Base interactions energy: -39.798
where: short stacking energy: -32.950
Base-Backbone interact. energy: 2.509
local terms energy: -52.867953
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -2.682
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -94.055503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.055503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.055503 (E_RNA)
where:
Base-Base interactions energy: -48.912
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.278
local terms energy: -44.865698
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -0.087
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: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -86.554332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.554332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.554332 (E_RNA)
where:
Base-Base interactions energy: -29.430
where: short stacking energy: -29.430
Base-Backbone interact. energy: -0.051
local terms energy: -57.073243
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.287
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: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -77.073089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.073089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.073089 (E_RNA)
where:
Base-Base interactions energy: -26.454
where: short stacking energy: -20.100
Base-Backbone interact. energy: -0.295
local terms energy: -50.323396
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -7.767
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: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -205.415257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.415257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.415257 (E_RNA)
where:
Base-Base interactions energy: -141.203
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.231
local terms energy: -63.981298
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -202.538331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.538331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.538331 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -56.449
Base-Backbone interact. energy: -0.162
local terms energy: -70.280777
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -184.087557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.087557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.087557 (E_RNA)
where:
Base-Base interactions energy: -118.557
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.450
local terms energy: -65.080947
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -17.517
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: 257
Temperature: 1.050000
Total energy: -160.924860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.924860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.924860 (E_RNA)
where:
Base-Base interactions energy: -106.435
where: short stacking energy: -44.494
Base-Backbone interact. energy: 0.059
local terms energy: -54.548690
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -4.644
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -157.435424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.435424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.435424 (E_RNA)
where:
Base-Base interactions energy: -102.913
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.007
local terms energy: -54.515263
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -13.355
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: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -104.484124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.484124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.484124 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.134
local terms energy: -57.858080
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -11.034
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: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -85.767063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.767063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.767063 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -22.164
Base-Backbone interact. energy: -1.539
local terms energy: -50.709068
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -79.045389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.045389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.045389 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -27.760
Base-Backbone interact. energy: 0.362
local terms energy: -46.478181
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -5.233
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -76.280730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.280730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.280730 (E_RNA)
where:
Base-Base interactions energy: -27.015
where: short stacking energy: -17.376
Base-Backbone interact. energy: -0.401
local terms energy: -48.864572
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -76.208013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.208013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.208013 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -22.197
Base-Backbone interact. energy: -0.055
local terms energy: -49.124451
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -11.055
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: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -208.667000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.667000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.667000 (E_RNA)
where:
Base-Base interactions energy: -143.594
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.055
local terms energy: -65.017507
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -207.063269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.063269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.063269 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -61.888
Base-Backbone interact. energy: 0.804
local terms energy: -69.709745
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -196.698334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.698334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.698334 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.097
local terms energy: -70.651842
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -156.412327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.412327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.412327 (E_RNA)
where:
Base-Base interactions energy: -100.048
where: short stacking energy: -43.281
Base-Backbone interact. energy: -0.124
local terms energy: -56.240071
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -12.499
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: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -134.562172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.562172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.562172 (E_RNA)
where:
Base-Base interactions energy: -79.148
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.339
local terms energy: -55.075617
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -5.169
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: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -96.360229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.360229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.360229 (E_RNA)
where:
Base-Base interactions energy: -45.077
where: short stacking energy: -40.011
Base-Backbone interact. energy: 0.454
local terms energy: -51.737729
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -6.764
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: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -101.802088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.802088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.802088 (E_RNA)
where:
Base-Base interactions energy: -45.149
where: short stacking energy: -36.487
Base-Backbone interact. energy: -1.999
local terms energy: -54.653899
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -5.486
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: 258
Temperature: 1.250000
Total energy: -102.318901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.318901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.318901 (E_RNA)
where:
Base-Base interactions energy: -56.141
where: short stacking energy: -28.964
Base-Backbone interact. energy: -0.143
local terms energy: -46.034301
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: 0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -73.891565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.891565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.891565 (E_RNA)
where:
Base-Base interactions energy: -28.423
where: short stacking energy: -22.842
Base-Backbone interact. energy: -0.152
local terms energy: -45.316671
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -4.064
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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.500944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.500944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.500944 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -22.973
Base-Backbone interact. energy: -0.167
local terms energy: -42.405893
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -213.814798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.814798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.814798 (E_RNA)
where:
Base-Base interactions energy: -140.473
where: short stacking energy: -64.998
Base-Backbone interact. energy: -0.160
local terms energy: -73.182060
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -18.092
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: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -202.704797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.704797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.704797 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -54.882
Base-Backbone interact. energy: -1.172
local terms energy: -71.876364
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -201.646134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.646134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.646134 (E_RNA)
where:
Base-Base interactions energy: -131.490
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.256
local terms energy: -69.900197
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -174.297967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.297967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.297967 (E_RNA)
where:
Base-Base interactions energy: -113.210
where: short stacking energy: -53.811
Base-Backbone interact. energy: -0.045
local terms energy: -61.043652
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -10.307
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -100.891089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.891089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.891089 (E_RNA)
where:
Base-Base interactions energy: -48.829
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.289
local terms energy: -51.772625
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -89.719163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719163 (E_RNA)
where:
Base-Base interactions energy: -51.684
where: short stacking energy: -15.855
Base-Backbone interact. energy: -0.452
local terms energy: -37.583054
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -5.879
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -84.885172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.885172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.885172 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -30.208
Base-Backbone interact. energy: -0.034
local terms energy: -54.643569
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -11.575
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: 259
Temperature: 1.250000
Total energy: -82.017071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.017071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.017071 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -33.039
Base-Backbone interact. energy: 1.858
local terms energy: -50.836536
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -6.233
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: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -78.188906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.188906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.188906 (E_RNA)
where:
Base-Base interactions energy: -28.413
where: short stacking energy: -25.336
Base-Backbone interact. energy: -0.384
local terms energy: -49.392563
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -1.216
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -88.522057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.522057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.522057 (E_RNA)
where:
Base-Base interactions energy: -44.759
where: short stacking energy: -21.362
Base-Backbone interact. energy: -0.372
local terms energy: -43.391063
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -10.912
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: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -211.329391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.329391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.329391 (E_RNA)
where:
Base-Base interactions energy: -137.955
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.001
local terms energy: -73.373487
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.754
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: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -213.534206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.534206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534206 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.593
local terms energy: -72.100747
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -187.329443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.329443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.329443 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -56.438
Base-Backbone interact. energy: -0.249
local terms energy: -58.063739
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -163.225308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.225308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.225308 (E_RNA)
where:
Base-Base interactions energy: -97.689
where: short stacking energy: -37.981
Base-Backbone interact. energy: 0.815
local terms energy: -66.350823
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -111.751565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.751565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.751565 (E_RNA)
where:
Base-Base interactions energy: -63.290
where: short stacking energy: -37.102
Base-Backbone interact. energy: -0.363
local terms energy: -48.099005
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -100.924716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.924716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.924716 (E_RNA)
where:
Base-Base interactions energy: -43.488
where: short stacking energy: -43.488
Base-Backbone interact. energy: -0.481
local terms energy: -56.956500
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -94.750059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.750059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.750059 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -19.333
Base-Backbone interact. energy: -0.127
local terms energy: -55.752871
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -91.834618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.834618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.834618 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.026
local terms energy: -54.060741
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -75.496989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.496989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.496989 (E_RNA)
where:
Base-Base interactions energy: -21.329
where: short stacking energy: -19.378
Base-Backbone interact. energy: -0.253
local terms energy: -53.914941
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -71.979564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.979564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.979564 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.279
local terms energy: -38.383749
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: 1.845
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -210.665909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.665909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.665909 (E_RNA)
where:
Base-Base interactions energy: -141.486
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.926
local terms energy: -68.254706
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -212.601990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.601990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.601990 (E_RNA)
where:
Base-Base interactions energy: -145.206
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.006
local terms energy: -67.390529
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -188.862351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862351 (E_RNA)
where:
Base-Base interactions energy: -124.053
where: short stacking energy: -60.022
Base-Backbone interact. energy: 0.005
local terms energy: -64.814935
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -182.485562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.485562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.485562 (E_RNA)
where:
Base-Base interactions energy: -111.055
where: short stacking energy: -56.792
Base-Backbone interact. energy: -0.015
local terms energy: -71.416087
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -10.740
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: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -111.411983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.411983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.411983 (E_RNA)
where:
Base-Base interactions energy: -57.412
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.080
local terms energy: -53.919495
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -86.659120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.659120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.659120 (E_RNA)
where:
Base-Base interactions energy: -35.918
where: short stacking energy: -26.096
Base-Backbone interact. energy: -0.094
local terms energy: -50.646872
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -87.115080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.115080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.115080 (E_RNA)
where:
Base-Base interactions energy: -39.222
where: short stacking energy: -39.222
Base-Backbone interact. energy: 0.074
local terms energy: -47.966996
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -82.887509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.887509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.887509 (E_RNA)
where:
Base-Base interactions energy: -31.246
where: short stacking energy: -31.246
Base-Backbone interact. energy: -1.157
local terms energy: -50.484589
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -2.944
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: 261
Temperature: 1.300000
Total energy: -79.065676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.065676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.065676 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.110
local terms energy: -45.013478
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -67.329923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.329923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.329923 (E_RNA)
where:
Base-Base interactions energy: -21.420
where: short stacking energy: -20.331
Base-Backbone interact. energy: -0.309
local terms energy: -45.601503
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.361
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: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -208.147822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.147822 (E_RNA)
where:
Base-Base interactions energy: -135.741
where: short stacking energy: -63.494
Base-Backbone interact. energy: -0.072
local terms energy: -72.335400
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -208.192154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.192154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.192154 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.003
local terms energy: -70.068643
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -184.022792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.022792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.022792 (E_RNA)
where:
Base-Base interactions energy: -115.036
where: short stacking energy: -55.561
Base-Backbone interact. energy: -0.016
local terms energy: -68.970573
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.508
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: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -177.221702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.221702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.221702 (E_RNA)
where:
Base-Base interactions energy: -115.638
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.010
local terms energy: -61.574168
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -10.638
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: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -92.527833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527833 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -39.073
Base-Backbone interact. energy: -1.006
local terms energy: -49.447559
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -4.029
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: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -130.344961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.344961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.344961 (E_RNA)
where:
Base-Base interactions energy: -72.947
where: short stacking energy: -44.658
Base-Backbone interact. energy: -0.056
local terms energy: -57.341202
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -84.117098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.117098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.117098 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.067
local terms energy: -50.384782
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -7.732
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: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -85.404375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.404375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.404375 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -31.861
Base-Backbone interact. energy: -0.097
local terms energy: -53.445750
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.614
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: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -89.442106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.442106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.442106 (E_RNA)
where:
Base-Base interactions energy: -53.880
where: short stacking energy: -21.520
Base-Backbone interact. energy: -0.213
local terms energy: -35.349341
where:
bonds (distance) C4'-P energy: -5.280
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -72.425146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.425146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.425146 (E_RNA)
where:
Base-Base interactions energy: -27.965
where: short stacking energy: -22.880
Base-Backbone interact. energy: -0.687
local terms energy: -43.773015
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -213.604523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604523 (E_RNA)
where:
Base-Base interactions energy: -142.076
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.702
local terms energy: -70.825854
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -19.280
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: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -209.336749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.336749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.336749 (E_RNA)
where:
Base-Base interactions energy: -135.849
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.150
local terms energy: -73.338105
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -190.674410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.674410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.674410 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -55.278
Base-Backbone interact. energy: -0.171
local terms energy: -68.048876
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -16.766
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: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -152.142008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.142008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.142008 (E_RNA)
where:
Base-Base interactions energy: -91.289
where: short stacking energy: -35.513
Base-Backbone interact. energy: 0.207
local terms energy: -61.059809
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -6.551
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: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -98.232412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.232412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.232412 (E_RNA)
where:
Base-Base interactions energy: -44.954
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.234
local terms energy: -53.044038
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -126.468226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.468226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.468226 (E_RNA)
where:
Base-Base interactions energy: -71.794
where: short stacking energy: -35.294
Base-Backbone interact. energy: 0.383
local terms energy: -55.056484
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -8.947
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: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -99.762040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.762040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.762040 (E_RNA)
where:
Base-Base interactions energy: -43.726
where: short stacking energy: -43.726
Base-Backbone interact. energy: -0.145
local terms energy: -55.890966
where:
bonds (distance) C4'-P energy: -8.338
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -9.002
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: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -97.750450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.750450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.750450 (E_RNA)
where:
Base-Base interactions energy: -43.499
where: short stacking energy: -43.499
Base-Backbone interact. energy: -0.025
local terms energy: -54.225574
where:
bonds (distance) C4'-P energy: -7.359
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -80.329752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329752 (E_RNA)
where:
Base-Base interactions energy: -29.739
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.023
local terms energy: -50.567633
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -72.994653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.994653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.994653 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -20.015
Base-Backbone interact. energy: -0.120
local terms energy: -48.355366
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -2.015
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -212.189020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.189020 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.406
local terms energy: -73.418022
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -205.126560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.126560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.126560 (E_RNA)
where:
Base-Base interactions energy: -140.194
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.457
local terms energy: -64.475283
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -7.525
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -156.821543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.821543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.821543 (E_RNA)
where:
Base-Base interactions energy: -96.442
where: short stacking energy: -46.633
Base-Backbone interact. energy: 2.103
local terms energy: -62.482528
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -188.151693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.151693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.151693 (E_RNA)
where:
Base-Base interactions energy: -121.257
where: short stacking energy: -62.968
Base-Backbone interact. energy: -0.017
local terms energy: -66.877820
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -149.003214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.003214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.003214 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -43.781
Base-Backbone interact. energy: -0.798
local terms energy: -58.404890
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -2.056
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -105.453090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.453090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.453090 (E_RNA)
where:
Base-Base interactions energy: -54.412
where: short stacking energy: -41.367
Base-Backbone interact. energy: -0.103
local terms energy: -50.937870
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -85.508967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.508967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.508967 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -30.094
Base-Backbone interact. energy: -0.058
local terms energy: -55.356639
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -107.045847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.045847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.045847 (E_RNA)
where:
Base-Base interactions energy: -54.113
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.712
local terms energy: -52.220818
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -83.213117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213117 (E_RNA)
where:
Base-Base interactions energy: -33.297
where: short stacking energy: -22.462
Base-Backbone interact. energy: -0.223
local terms energy: -49.693193
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -71.138269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.138269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.138269 (E_RNA)
where:
Base-Base interactions energy: -22.779
where: short stacking energy: -15.545
Base-Backbone interact. energy: 0.722
local terms energy: -49.081329
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -1.278
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: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -195.448656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.448656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.448656 (E_RNA)
where:
Base-Base interactions energy: -134.514
where: short stacking energy: -52.344
Base-Backbone interact. energy: -1.191
local terms energy: -59.744004
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -12.735
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -193.015258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.015258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.015258 (E_RNA)
where:
Base-Base interactions energy: -119.825
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.308
local terms energy: -72.882459
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -15.285
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: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -166.449051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.449051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.449051 (E_RNA)
where:
Base-Base interactions energy: -99.226
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.893
local terms energy: -66.329371
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -14.997
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: 265
Temperature: 1.050000
Total energy: -191.691753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.691753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691753 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.575
local terms energy: -64.955260
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -15.966
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: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -145.182305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.182305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.182305 (E_RNA)
where:
Base-Base interactions energy: -85.053
where: short stacking energy: -39.654
Base-Backbone interact. energy: -0.658
local terms energy: -59.471788
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -10.436
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -103.936676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.936676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.936676 (E_RNA)
where:
Base-Base interactions energy: -39.513
where: short stacking energy: -39.513
Base-Backbone interact. energy: -0.017
local terms energy: -64.407267
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -96.693168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.693168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.693168 (E_RNA)
where:
Base-Base interactions energy: -50.683
where: short stacking energy: -33.592
Base-Backbone interact. energy: -1.362
local terms energy: -44.648376
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -3.032
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: 265
Temperature: 1.250000
Total energy: -104.407224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.407224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.407224 (E_RNA)
where:
Base-Base interactions energy: -48.398
where: short stacking energy: -33.347
Base-Backbone interact. energy: -0.114
local terms energy: -55.895417
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -83.055396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.055396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.055396 (E_RNA)
where:
Base-Base interactions energy: -44.627
where: short stacking energy: -26.900
Base-Backbone interact. energy: -0.240
local terms energy: -38.188966
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -3.063
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: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -77.338674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.338674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.338674 (E_RNA)
where:
Base-Base interactions energy: -18.954
where: short stacking energy: -18.954
Base-Backbone interact. energy: -0.039
local terms energy: -58.345142
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -204.798488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.798488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.798488 (E_RNA)
where:
Base-Base interactions energy: -130.983
where: short stacking energy: -61.324
Base-Backbone interact. energy: -0.045
local terms energy: -73.770302
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.105
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: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -190.901979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.901979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.901979 (E_RNA)
where:
Base-Base interactions energy: -128.648
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.584
local terms energy: -61.670208
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -195.000858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.000858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.000858 (E_RNA)
where:
Base-Base interactions energy: -126.698
where: short stacking energy: -57.810
Base-Backbone interact. energy: 1.055
local terms energy: -69.358376
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -16.210
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -153.455977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.455977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.455977 (E_RNA)
where:
Base-Base interactions energy: -99.672
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.592
local terms energy: -53.191560
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -11.213
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: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -127.427962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.427962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.427962 (E_RNA)
where:
Base-Base interactions energy: -70.744
where: short stacking energy: -46.725
Base-Backbone interact. energy: -0.009
local terms energy: -56.675672
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -8.036
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: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -121.694483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.694483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.694483 (E_RNA)
where:
Base-Base interactions energy: -78.918
where: short stacking energy: -35.664
Base-Backbone interact. energy: -1.331
local terms energy: -41.445487
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -85.787803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787803 (E_RNA)
where:
Base-Base interactions energy: -42.968
where: short stacking energy: -25.842
Base-Backbone interact. energy: -0.275
local terms energy: -42.545255
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: 2.556
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: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -104.671277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.671277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.671277 (E_RNA)
where:
Base-Base interactions energy: -62.029
where: short stacking energy: -31.462
Base-Backbone interact. energy: 0.198
local terms energy: -42.840172
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -7.350
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -82.447763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.447763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.447763 (E_RNA)
where:
Base-Base interactions energy: -32.490
where: short stacking energy: -18.962
Base-Backbone interact. energy: -0.003
local terms energy: -49.954614
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -84.608856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.608856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.608856 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -19.640
Base-Backbone interact. energy: -0.200
local terms energy: -40.761401
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -5.206
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: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -216.431400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.431400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.431400 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.408
local terms energy: -73.007176
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -192.941337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.941337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.941337 (E_RNA)
where:
Base-Base interactions energy: -125.379
where: short stacking energy: -60.574
Base-Backbone interact. energy: 2.526
local terms energy: -70.088545
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -197.970248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.970248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.970248 (E_RNA)
where:
Base-Base interactions energy: -123.707
where: short stacking energy: -51.141
Base-Backbone interact. energy: -0.679
local terms energy: -73.584351
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -164.514425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.514425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.514425 (E_RNA)
where:
Base-Base interactions energy: -104.404
where: short stacking energy: -56.163
Base-Backbone interact. energy: 0.995
local terms energy: -61.105658
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -128.240468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.240468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.240468 (E_RNA)
where:
Base-Base interactions energy: -71.294
where: short stacking energy: -42.318
Base-Backbone interact. energy: -0.290
local terms energy: -56.656502
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -10.149
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: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -85.742116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.742116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.742116 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -31.418
Base-Backbone interact. energy: 2.227
local terms energy: -55.378272
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -6.905
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: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -79.917749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.917749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.917749 (E_RNA)
where:
Base-Base interactions energy: -27.932
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.341
local terms energy: -51.644430
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -86.147180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.147180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.147180 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.000
local terms energy: -57.802220
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -7.642
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -78.854974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.854974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.854974 (E_RNA)
where:
Base-Base interactions energy: -22.574
where: short stacking energy: -22.279
Base-Backbone interact. energy: 1.003
local terms energy: -57.283837
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -77.271879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.271879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.271879 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.151
local terms energy: -46.379484
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -5.342
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -213.653445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.653445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.653445 (E_RNA)
where:
Base-Base interactions energy: -138.015
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.124
local terms energy: -75.514464
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -200.032183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.032183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.032183 (E_RNA)
where:
Base-Base interactions energy: -128.471
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.057
local terms energy: -71.504793
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -180.095340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.095340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.095340 (E_RNA)
where:
Base-Base interactions energy: -105.959
where: short stacking energy: -53.755
Base-Backbone interact. energy: -0.002
local terms energy: -74.134138
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -19.489
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: 268
Temperature: 1.050000
Total energy: -169.111547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.111547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.111547 (E_RNA)
where:
Base-Base interactions energy: -103.514
where: short stacking energy: -43.630
Base-Backbone interact. energy: -0.420
local terms energy: -65.177829
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -139.687882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.687882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.687882 (E_RNA)
where:
Base-Base interactions energy: -82.516
where: short stacking energy: -42.794
Base-Backbone interact. energy: -0.872
local terms energy: -56.299556
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -9.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -110.681216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.681216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.681216 (E_RNA)
where:
Base-Base interactions energy: -55.221
where: short stacking energy: -44.119
Base-Backbone interact. energy: -0.004
local terms energy: -55.456522
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -10.551
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: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -95.694100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.694100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.694100 (E_RNA)
where:
Base-Base interactions energy: -36.228
where: short stacking energy: -35.537
Base-Backbone interact. energy: -0.002
local terms energy: -59.463599
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -8.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -84.388248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.388248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.388248 (E_RNA)
where:
Base-Base interactions energy: -35.951
where: short stacking energy: -32.044
Base-Backbone interact. energy: -0.065
local terms energy: -48.372483
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -5.211
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: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -74.456694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.456694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.456694 (E_RNA)
where:
Base-Base interactions energy: -20.907
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.291
local terms energy: -53.258812
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -4.269
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -75.376892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.376892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.376892 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -19.137
Base-Backbone interact. energy: -0.158
local terms energy: -45.170996
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -0.868
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: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -212.931460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.931460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.931460 (E_RNA)
where:
Base-Base interactions energy: -147.439
where: short stacking energy: -58.020
Base-Backbone interact. energy: 0.127
local terms energy: -65.618822
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -18.995
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -197.101116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.101116 (E_RNA)
where:
Base-Base interactions energy: -129.716
where: short stacking energy: -51.964
Base-Backbone interact. energy: 0.243
local terms energy: -67.628987
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -195.169625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.169625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.169625 (E_RNA)
where:
Base-Base interactions energy: -121.648
where: short stacking energy: -59.861
Base-Backbone interact. energy: -0.001
local terms energy: -73.521354
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -170.558764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.558764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.558764 (E_RNA)
where:
Base-Base interactions energy: -124.166
where: short stacking energy: -53.117
Base-Backbone interact. energy: 0.706
local terms energy: -47.098920
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -0.392
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -174.154025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.154025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.154025 (E_RNA)
where:
Base-Base interactions energy: -112.023
where: short stacking energy: -44.465
Base-Backbone interact. energy: -0.174
local terms energy: -61.956930
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -13.788
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: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -84.213683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.213683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.213683 (E_RNA)
where:
Base-Base interactions energy: -30.984
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.122
local terms energy: -53.108264
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -89.780317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.780317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.780317 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.078
local terms energy: -55.192593
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -77.075454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.075454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.075454 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.611
local terms energy: -53.343727
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.382
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: 269
Temperature: 1.300000
Total energy: -71.838339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.838339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.838339 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -27.739
Base-Backbone interact. energy: -0.271
local terms energy: -43.220465
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -3.226
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: 269
Temperature: 1.350000
Total energy: -69.930934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.930934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.930934 (E_RNA)
where:
Base-Base interactions energy: -25.331
where: short stacking energy: -20.175
Base-Backbone interact. energy: 0.637
local terms energy: -45.236853
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: 3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -209.499755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.499755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.499755 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.074
local terms energy: -70.255902
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -10.777
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -185.174705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.174705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.174705 (E_RNA)
where:
Base-Base interactions energy: -109.728
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.025
local terms energy: -75.422350
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -197.340520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.340520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.340520 (E_RNA)
where:
Base-Base interactions energy: -130.567
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.019
local terms energy: -66.754667
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -187.748136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.748136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.748136 (E_RNA)
where:
Base-Base interactions energy: -124.817
where: short stacking energy: -50.259
Base-Backbone interact. energy: -0.017
local terms energy: -62.914101
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -18.868
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: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -175.201506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201506 (E_RNA)
where:
Base-Base interactions energy: -108.316
where: short stacking energy: -50.828
Base-Backbone interact. energy: -0.309
local terms energy: -66.576201
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -6.025
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: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -83.315753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.315753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.315753 (E_RNA)
where:
Base-Base interactions energy: -29.004
where: short stacking energy: -28.952
Base-Backbone interact. energy: -0.016
local terms energy: -54.295102
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -5.536
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: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -97.540452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.540452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.540452 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -41.518
Base-Backbone interact. energy: -0.099
local terms energy: -55.923206
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -74.839199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.839199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.839199 (E_RNA)
where:
Base-Base interactions energy: -24.637
where: short stacking energy: -24.025
Base-Backbone interact. energy: -0.225
local terms energy: -49.977177
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -83.782414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.782414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.782414 (E_RNA)
where:
Base-Base interactions energy: -32.692
where: short stacking energy: -32.692
Base-Backbone interact. energy: 0.441
local terms energy: -51.531071
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -70.710466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.710466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.710466 (E_RNA)
where:
Base-Base interactions energy: -26.878
where: short stacking energy: -17.079
Base-Backbone interact. energy: -0.099
local terms energy: -43.734397
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: 2.310
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: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -214.029226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.029226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.029226 (E_RNA)
where:
Base-Base interactions energy: -139.189
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.005
local terms energy: -74.834915
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.088
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: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -198.260763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.260763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.260763 (E_RNA)
where:
Base-Base interactions energy: -129.509
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.004
local terms energy: -68.747501
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -18.306
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -166.538058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.538058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.538058 (E_RNA)
where:
Base-Base interactions energy: -98.207
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.711
local terms energy: -67.620790
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -11.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -198.559463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.559463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.559463 (E_RNA)
where:
Base-Base interactions energy: -129.699
where: short stacking energy: -54.157
Base-Backbone interact. energy: -0.035
local terms energy: -68.825262
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -19.543
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: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -187.581423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.581423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.581423 (E_RNA)
where:
Base-Base interactions energy: -121.792
where: short stacking energy: -54.796
Base-Backbone interact. energy: -0.067
local terms energy: -65.721808
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -18.681
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: 271
Temperature: 1.150000
Total energy: -103.228615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.228615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.228615 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -35.795
Base-Backbone interact. energy: -0.066
local terms energy: -65.301913
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -101.185982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.185982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.185982 (E_RNA)
where:
Base-Base interactions energy: -45.990
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.265
local terms energy: -54.931641
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -8.262
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -84.131039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131039 (E_RNA)
where:
Base-Base interactions energy: -30.111
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.062
local terms energy: -53.957872
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -98.773409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.773409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.773409 (E_RNA)
where:
Base-Base interactions energy: -60.392
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.129
local terms energy: -38.252952
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -4.788
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -82.257128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.257128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.257128 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -28.080
Base-Backbone interact. energy: 2.373
local terms energy: -50.690301
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -210.241189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.241189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.241189 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.838
local terms energy: -71.936812
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -206.851740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.851740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.851740 (E_RNA)
where:
Base-Base interactions energy: -135.918
where: short stacking energy: -56.959
Base-Backbone interact. energy: -0.014
local terms energy: -70.919996
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.180
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: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -201.916044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.916044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.916044 (E_RNA)
where:
Base-Base interactions energy: -130.420
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.001
local terms energy: -71.495414
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -10.392
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: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -169.681029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.681029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.681029 (E_RNA)
where:
Base-Base interactions energy: -105.006
where: short stacking energy: -47.643
Base-Backbone interact. energy: -1.312
local terms energy: -63.363481
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -163.293771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.293771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.293771 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -49.735
Base-Backbone interact. energy: -0.178
local terms energy: -62.240598
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -103.058481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.058481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.058481 (E_RNA)
where:
Base-Base interactions energy: -41.322
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.099
local terms energy: -61.637153
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -100.151044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.151044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.151044 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -31.504
Base-Backbone interact. energy: -0.716
local terms energy: -47.814027
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -81.028708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.028708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.028708 (E_RNA)
where:
Base-Base interactions energy: -31.234
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.279
local terms energy: -49.515855
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -6.354
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -70.052248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.052248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.052248 (E_RNA)
where:
Base-Base interactions energy: -26.894
where: short stacking energy: -24.863
Base-Backbone interact. energy: -0.099
local terms energy: -43.059765
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -7.940
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: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -67.714487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.714487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.714487 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -20.534
Base-Backbone interact. energy: 0.838
local terms energy: -40.999513
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: 6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -208.560421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.560421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.560421 (E_RNA)
where:
Base-Base interactions energy: -137.135
where: short stacking energy: -59.074
Base-Backbone interact. energy: 0.007
local terms energy: -71.433051
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -206.188095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.188095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.188095 (E_RNA)
where:
Base-Base interactions energy: -135.233
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.062
local terms energy: -70.893599
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -187.520461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.520461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.520461 (E_RNA)
where:
Base-Base interactions energy: -118.826
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.102
local terms energy: -68.592890
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.550
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: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -172.111331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.111331 (E_RNA)
where:
Base-Base interactions energy: -111.961
where: short stacking energy: -52.237
Base-Backbone interact. energy: -0.120
local terms energy: -60.029693
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.202
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: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -161.944248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.944248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.944248 (E_RNA)
where:
Base-Base interactions energy: -98.652
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.325
local terms energy: -62.967543
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -10.098
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: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -133.135913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.135913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.135913 (E_RNA)
where:
Base-Base interactions energy: -73.677
where: short stacking energy: -47.293
Base-Backbone interact. energy: -0.032
local terms energy: -59.426979
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -13.812
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: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -81.274318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.274318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.274318 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -24.705
Base-Backbone interact. energy: -0.285
local terms energy: -40.711446
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -7.270
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: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -82.607942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607942 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -27.535
Base-Backbone interact. energy: 0.676
local terms energy: -54.946242
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -82.463426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.463426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.463426 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.043
local terms energy: -47.205874
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -7.002
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -79.121877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.121877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.121877 (E_RNA)
where:
Base-Base interactions energy: -27.466
where: short stacking energy: -27.466
Base-Backbone interact. energy: -0.301
local terms energy: -51.354976
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -2.201
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: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -211.835740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.835740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.835740 (E_RNA)
where:
Base-Base interactions energy: -137.443
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.086
local terms energy: -74.305954
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -207.438292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.438292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.438292 (E_RNA)
where:
Base-Base interactions energy: -133.220
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.001
local terms energy: -74.217280
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -194.647825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.647825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.647825 (E_RNA)
where:
Base-Base interactions energy: -132.986
where: short stacking energy: -67.037
Base-Backbone interact. energy: 2.046
local terms energy: -63.708339
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -7.070
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: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -165.964631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.964631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.964631 (E_RNA)
where:
Base-Base interactions energy: -97.886
where: short stacking energy: -44.450
Base-Backbone interact. energy: -0.164
local terms energy: -67.914023
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -151.985284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.985284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.985284 (E_RNA)
where:
Base-Base interactions energy: -92.012
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.091
local terms energy: -59.882617
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.640
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: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -154.647377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.647377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.647377 (E_RNA)
where:
Base-Base interactions energy: -96.382
where: short stacking energy: -42.476
Base-Backbone interact. energy: -0.011
local terms energy: -58.253484
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -10.797
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: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -109.547231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.547231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.547231 (E_RNA)
where:
Base-Base interactions energy: -61.896
where: short stacking energy: -35.745
Base-Backbone interact. energy: -0.118
local terms energy: -47.532738
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -6.567
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -3.252
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: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -84.238708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.238708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.238708 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -33.272
Base-Backbone interact. energy: -0.186
local terms energy: -51.724883
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -8.435
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -75.669935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.669935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.669935 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -21.673
Base-Backbone interact. energy: -0.123
local terms energy: -48.106854
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -69.962009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.962009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.962009 (E_RNA)
where:
Base-Base interactions energy: -26.403
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.039
local terms energy: -43.519339
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -8.825
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -0.420
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -206.372291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.372291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.372291 (E_RNA)
where:
Base-Base interactions energy: -131.893
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.003
local terms energy: -74.476548
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -202.473952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.473952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.473952 (E_RNA)
where:
Base-Base interactions energy: -134.759
where: short stacking energy: -62.417
Base-Backbone interact. energy: 0.032
local terms energy: -67.747327
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -18.250
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: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -205.052850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.052850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.052850 (E_RNA)
where:
Base-Base interactions energy: -138.309
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.015
local terms energy: -66.728807
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -159.913105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.913105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.913105 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.227
local terms energy: -56.300470
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -2.799
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: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -138.159875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.159875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.159875 (E_RNA)
where:
Base-Base interactions energy: -83.025
where: short stacking energy: -49.498
Base-Backbone interact. energy: -0.702
local terms energy: -54.432250
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -161.161740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.161740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.161740 (E_RNA)
where:
Base-Base interactions energy: -99.875
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.670
local terms energy: -60.616247
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -0.884
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: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -118.303528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.303528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.303528 (E_RNA)
where:
Base-Base interactions energy: -64.456
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.137
local terms energy: -53.710203
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -4.777
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: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -87.391362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.391362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.391362 (E_RNA)
where:
Base-Base interactions energy: -37.925
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.198
local terms energy: -49.268401
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.452
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: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -75.787560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.787560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.787560 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -14.880
Base-Backbone interact. energy: -0.271
local terms energy: -42.006342
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -0.540
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: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -75.057183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.057183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.057183 (E_RNA)
where:
Base-Base interactions energy: -26.583
where: short stacking energy: -26.583
Base-Backbone interact. energy: -0.013
local terms energy: -48.461271
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -203.765827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.765827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.765827 (E_RNA)
where:
Base-Base interactions energy: -137.430
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.105
local terms energy: -66.230461
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -9.411
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.818
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: 276
Temperature: 0.950000
Total energy: -200.345670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.345670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.345670 (E_RNA)
where:
Base-Base interactions energy: -129.843
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.099
local terms energy: -70.403701
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -178.836043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.836043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.836043 (E_RNA)
where:
Base-Base interactions energy: -108.247
where: short stacking energy: -49.351
Base-Backbone interact. energy: -0.240
local terms energy: -70.349045
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -18.879
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: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -198.054641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.054641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.054641 (E_RNA)
where:
Base-Base interactions energy: -127.567
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.241
local terms energy: -70.246442
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -19.983
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: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -161.030827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.030827 (E_RNA)
where:
Base-Base interactions energy: -100.825
where: short stacking energy: -47.552
Base-Backbone interact. energy: -0.212
local terms energy: -59.993622
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -147.592763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.592763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.592763 (E_RNA)
where:
Base-Base interactions energy: -87.689
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.772
local terms energy: -59.131799
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -115.131791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.131791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.131791 (E_RNA)
where:
Base-Base interactions energy: -55.474
where: short stacking energy: -38.877
Base-Backbone interact. energy: -0.115
local terms energy: -59.542113
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -79.986135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.986135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.986135 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -15.194
Base-Backbone interact. energy: -0.251
local terms energy: -38.424997
where:
bonds (distance) C4'-P energy: -7.745
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 6.418
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: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -78.144688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.144688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.144688 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -20.511
Base-Backbone interact. energy: -0.015
local terms energy: -50.361332
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -6.413
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -77.023026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.023026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.023026 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.540
local terms energy: -43.801397
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -2.468
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: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -209.223254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.223254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.223254 (E_RNA)
where:
Base-Base interactions energy: -140.670
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.353
local terms energy: -68.199394
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.130
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -196.163439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.163439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.163439 (E_RNA)
where:
Base-Base interactions energy: -129.674
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.014
local terms energy: -66.475572
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -175.379926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.379926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.379926 (E_RNA)
where:
Base-Base interactions energy: -108.957
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.381
local terms energy: -66.041855
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -15.584
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -179.941650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.941650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941650 (E_RNA)
where:
Base-Base interactions energy: -112.882
where: short stacking energy: -52.229
Base-Backbone interact. energy: -0.234
local terms energy: -66.825111
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -16.413
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: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -174.318301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.318301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.318301 (E_RNA)
where:
Base-Base interactions energy: -110.106
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.469
local terms energy: -63.743794
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -106.363091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363091 (E_RNA)
where:
Base-Base interactions energy: -57.929
where: short stacking energy: -24.901
Base-Backbone interact. energy: -0.304
local terms energy: -48.129732
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -132.210232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.210232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.210232 (E_RNA)
where:
Base-Base interactions energy: -80.840
where: short stacking energy: -38.149
Base-Backbone interact. energy: -0.206
local terms energy: -51.163577
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -11.608
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: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -81.122604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.122604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.122604 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.123
local terms energy: -50.930879
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -78.120659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.120659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.120659 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -25.436
Base-Backbone interact. energy: 1.981
local terms energy: -51.545255
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.608
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: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -78.249306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.249306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.249306 (E_RNA)
where:
Base-Base interactions energy: -38.294
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.240
local terms energy: -39.715412
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -7.985
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: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -210.335195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.335195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.335195 (E_RNA)
where:
Base-Base interactions energy: -136.548
where: short stacking energy: -58.906
Base-Backbone interact. energy: -0.047
local terms energy: -73.740024
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -7.887
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: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -196.347916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.347916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.347916 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -52.310
Base-Backbone interact. energy: -0.165
local terms energy: -63.648868
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -9.895
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: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -192.493067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.493067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.493067 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.091
local terms energy: -61.916634
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -17.514
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: 278
Temperature: 1.050000
Total energy: -177.996955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.996955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.996955 (E_RNA)
where:
Base-Base interactions energy: -116.506
where: short stacking energy: -49.657
Base-Backbone interact. energy: -0.944
local terms energy: -60.546538
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -169.323830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.323830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.323830 (E_RNA)
where:
Base-Base interactions energy: -109.110
where: short stacking energy: -49.098
Base-Backbone interact. energy: -0.001
local terms energy: -60.212733
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -92.900919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.900919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.900919 (E_RNA)
where:
Base-Base interactions energy: -44.152
where: short stacking energy: -23.237
Base-Backbone interact. energy: -0.236
local terms energy: -48.513129
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -9.046
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -98.292164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.292164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.292164 (E_RNA)
where:
Base-Base interactions energy: -47.365
where: short stacking energy: -47.365
Base-Backbone interact. energy: -0.258
local terms energy: -50.669300
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -9.504
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: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -109.094608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.094608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.094608 (E_RNA)
where:
Base-Base interactions energy: -52.032
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.079
local terms energy: -56.983686
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -75.684381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.684381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.684381 (E_RNA)
where:
Base-Base interactions energy: -28.335
where: short stacking energy: -27.818
Base-Backbone interact. energy: 0.110
local terms energy: -47.459096
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -76.080593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.080593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.080593 (E_RNA)
where:
Base-Base interactions energy: -23.366
where: short stacking energy: -23.366
Base-Backbone interact. energy: -0.124
local terms energy: -52.589913
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -3.930
tors. eta vs tors. theta energy: -2.318
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: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -208.953370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.953370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.953370 (E_RNA)
where:
Base-Base interactions energy: -141.677
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.027
local terms energy: -67.249920
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -203.220720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.220720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.220720 (E_RNA)
where:
Base-Base interactions energy: -133.166
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.002
local terms energy: -70.052951
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.164
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: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -208.102901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.102901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.102901 (E_RNA)
where:
Base-Base interactions energy: -137.183
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.014
local terms energy: -70.905053
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -139.670636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.670636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.670636 (E_RNA)
where:
Base-Base interactions energy: -85.999
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.448
local terms energy: -53.223976
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -166.734433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734433 (E_RNA)
where:
Base-Base interactions energy: -97.655
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.003
local terms energy: -69.077316
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -16.488
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: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -89.277071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.277071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.277071 (E_RNA)
where:
Base-Base interactions energy: -39.978
where: short stacking energy: -26.563
Base-Backbone interact. energy: 1.330
local terms energy: -50.628600
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -93.589861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589861 (E_RNA)
where:
Base-Base interactions energy: -44.238
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.045
local terms energy: -49.306750
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -2.802
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -76.678656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.678656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.678656 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.083
local terms energy: -43.223334
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -96.574517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.574517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.574517 (E_RNA)
where:
Base-Base interactions energy: -49.174
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.375
local terms energy: -47.025148
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.308332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308332 (E_RNA)
where:
Base-Base interactions energy: -22.574
where: short stacking energy: -22.574
Base-Backbone interact. energy: -0.161
local terms energy: -57.573992
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -205.912027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.912027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.912027 (E_RNA)
where:
Base-Base interactions energy: -132.816
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.413
local terms energy: -72.683271
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -199.842084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.842084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.842084 (E_RNA)
where:
Base-Base interactions energy: -126.983
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.011
local terms energy: -72.847890
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -195.081926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.081926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.081926 (E_RNA)
where:
Base-Base interactions energy: -128.334
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.181
local terms energy: -66.566846
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -13.225
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: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -114.261484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.261484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.261484 (E_RNA)
where:
Base-Base interactions energy: -58.706
where: short stacking energy: -38.779
Base-Backbone interact. energy: -0.214
local terms energy: -55.341960
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -160.370669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.370669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.370669 (E_RNA)
where:
Base-Base interactions energy: -97.612
where: short stacking energy: -44.734
Base-Backbone interact. energy: -0.387
local terms energy: -62.371256
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -14.785
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: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -88.116396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.116396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.116396 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -37.711
Base-Backbone interact. energy: -0.008
local terms energy: -46.982524
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -6.559
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: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -90.258392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.258392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.258392 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -25.059
Base-Backbone interact. energy: 1.408
local terms energy: -55.729325
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -81.467738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.467738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.467738 (E_RNA)
where:
Base-Base interactions energy: -27.377
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.065
local terms energy: -54.025708
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -74.208644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.208644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.208644 (E_RNA)
where:
Base-Base interactions energy: -25.375
where: short stacking energy: -23.485
Base-Backbone interact. energy: -0.140
local terms energy: -48.693366
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -3.324
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: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -86.064911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.064911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.064911 (E_RNA)
where:
Base-Base interactions energy: -43.265
where: short stacking energy: -24.060
Base-Backbone interact. energy: -0.389
local terms energy: -42.410951
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -8.147
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: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -218.001735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.001735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.001735 (E_RNA)
where:
Base-Base interactions energy: -144.589
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.044
local terms energy: -73.368602
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -200.196825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.196825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.196825 (E_RNA)
where:
Base-Base interactions energy: -132.551
where: short stacking energy: -57.591
Base-Backbone interact. energy: 0.323
local terms energy: -67.968780
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -194.052402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.052402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.052402 (E_RNA)
where:
Base-Base interactions energy: -127.041
where: short stacking energy: -61.888
Base-Backbone interact. energy: -0.002
local terms energy: -67.008818
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -178.253997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.253997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253997 (E_RNA)
where:
Base-Base interactions energy: -112.379
where: short stacking energy: -45.028
Base-Backbone interact. energy: 0.042
local terms energy: -65.916468
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -119.300346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.300346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.300346 (E_RNA)
where:
Base-Base interactions energy: -58.929
where: short stacking energy: -37.628
Base-Backbone interact. energy: -0.636
local terms energy: -59.734909
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -5.493
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: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -90.090968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090968 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -25.224
Base-Backbone interact. energy: 0.043
local terms energy: -59.029555
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -2.754
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: 281
Temperature: 1.200000
Total energy: -88.357014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.357014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.357014 (E_RNA)
where:
Base-Base interactions energy: -35.628
where: short stacking energy: -18.422
Base-Backbone interact. energy: 0.739
local terms energy: -53.467587
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -9.386
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: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -79.404556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404556 (E_RNA)
where:
Base-Base interactions energy: -23.718
where: short stacking energy: -23.093
Base-Backbone interact. energy: -0.364
local terms energy: -55.322073
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -76.455517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.455517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.455517 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -29.667
Base-Backbone interact. energy: -0.096
local terms energy: -44.782595
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.489781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.489781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.489781 (E_RNA)
where:
Base-Base interactions energy: -29.147
where: short stacking energy: -25.914
Base-Backbone interact. energy: 0.458
local terms energy: -48.800994
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -1.852
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: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -207.892317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.892317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.892317 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.211
local terms energy: -71.323759
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -194.235295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.235295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.235295 (E_RNA)
where:
Base-Base interactions energy: -118.078
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.369
local terms energy: -75.788304
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -17.253
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -188.188073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.188073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.188073 (E_RNA)
where:
Base-Base interactions energy: -118.517
where: short stacking energy: -43.596
Base-Backbone interact. energy: -0.302
local terms energy: -69.369274
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -191.971177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.971177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.971177 (E_RNA)
where:
Base-Base interactions energy: -131.076
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.077
local terms energy: -60.818108
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -98.932323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.932323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.932323 (E_RNA)
where:
Base-Base interactions energy: -48.505
where: short stacking energy: -37.962
Base-Backbone interact. energy: -0.189
local terms energy: -50.238291
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -88.219260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219260 (E_RNA)
where:
Base-Base interactions energy: -38.095
where: short stacking energy: -23.146
Base-Backbone interact. energy: -0.230
local terms energy: -49.894514
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.886
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -85.643263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.643263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.643263 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -33.921
Base-Backbone interact. energy: -0.075
local terms energy: -46.988609
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -78.434555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.434555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.434555 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.094
local terms energy: -49.877133
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -0.221
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: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -80.039234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.039234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.039234 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.117
local terms energy: -46.615742
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -2.247
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -70.089175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.089175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.089175 (E_RNA)
where:
Base-Base interactions energy: -26.247
where: short stacking energy: -22.767
Base-Backbone interact. energy: -0.082
local terms energy: -43.759641
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -8.964
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -209.206171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.206171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.206171 (E_RNA)
where:
Base-Base interactions energy: -135.860
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.264
local terms energy: -73.082119
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -203.388903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.388903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.388903 (E_RNA)
where:
Base-Base interactions energy: -135.205
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.005
local terms energy: -68.178692
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -17.566
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -181.871451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.871451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.871451 (E_RNA)
where:
Base-Base interactions energy: -109.833
where: short stacking energy: -48.573
Base-Backbone interact. energy: -0.057
local terms energy: -71.981050
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -200.201314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.201314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.201314 (E_RNA)
where:
Base-Base interactions energy: -133.414
where: short stacking energy: -55.627
Base-Backbone interact. energy: 2.646
local terms energy: -69.432812
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -16.866
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: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -141.997037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.997037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.997037 (E_RNA)
where:
Base-Base interactions energy: -88.271
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.213
local terms energy: -53.513540
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -10.388
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: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -102.111291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.111291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.111291 (E_RNA)
where:
Base-Base interactions energy: -53.979
where: short stacking energy: -38.061
Base-Backbone interact. energy: 0.080
local terms energy: -48.212322
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -81.462618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.462618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.462618 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -14.759
Base-Backbone interact. energy: -0.268
local terms energy: -53.473502
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -0.704
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: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -82.642550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.642550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.642550 (E_RNA)
where:
Base-Base interactions energy: -32.154
where: short stacking energy: -32.314
Base-Backbone interact. energy: -0.129
local terms energy: -50.360003
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -77.123768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.123768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.123768 (E_RNA)
where:
Base-Base interactions energy: -23.886
where: short stacking energy: -20.587
Base-Backbone interact. energy: -0.266
local terms energy: -52.971183
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -11.469
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -81.356895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356895 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -27.063
Base-Backbone interact. energy: 2.524
local terms energy: -39.710654
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -1.741
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: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -211.154913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.154913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.154913 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.214
local terms energy: -72.083912
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -18.924
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: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -207.967787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.967787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.967787 (E_RNA)
where:
Base-Base interactions energy: -133.852
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.084
local terms energy: -74.031986
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -203.035138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.035138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.035138 (E_RNA)
where:
Base-Base interactions energy: -129.024
where: short stacking energy: -52.993
Base-Backbone interact. energy: -0.004
local terms energy: -74.007205
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.141
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: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -164.191349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.191349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.191349 (E_RNA)
where:
Base-Base interactions energy: -95.112
where: short stacking energy: -39.240
Base-Backbone interact. energy: 0.968
local terms energy: -70.046644
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -100.283082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.283082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.283082 (E_RNA)
where:
Base-Base interactions energy: -46.001
where: short stacking energy: -39.004
Base-Backbone interact. energy: -0.162
local terms energy: -54.120450
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -104.980633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.980633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.980633 (E_RNA)
where:
Base-Base interactions energy: -55.944
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.207
local terms energy: -48.829315
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -95.662577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.662577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.662577 (E_RNA)
where:
Base-Base interactions energy: -45.566
where: short stacking energy: -23.960
Base-Backbone interact. energy: -0.720
local terms energy: -49.376598
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -85.182782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.182782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.182782 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.093
local terms energy: -48.956141
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -72.494377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.494377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.494377 (E_RNA)
where:
Base-Base interactions energy: -23.242
where: short stacking energy: -23.442
Base-Backbone interact. energy: -0.184
local terms energy: -49.068354
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -70.559193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.559193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.559193 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -27.634
Base-Backbone interact. energy: 0.722
local terms energy: -43.567247
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -5.128
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: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -216.964619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.964619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.964619 (E_RNA)
where:
Base-Base interactions energy: -140.049
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.001
local terms energy: -76.914830
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -199.486705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.486705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.486705 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.001
local terms energy: -70.782053
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -176.635718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.635718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.635718 (E_RNA)
where:
Base-Base interactions energy: -107.525
where: short stacking energy: -53.081
Base-Backbone interact. energy: 0.192
local terms energy: -69.302745
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -15.967
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -175.695462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.695462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.695462 (E_RNA)
where:
Base-Base interactions energy: -109.800
where: short stacking energy: -45.559
Base-Backbone interact. energy: 0.254
local terms energy: -66.149790
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.399
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: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -99.407073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.407073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.407073 (E_RNA)
where:
Base-Base interactions energy: -46.863
where: short stacking energy: -26.692
Base-Backbone interact. energy: -0.471
local terms energy: -52.073525
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -4.099
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -112.529074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.529074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.529074 (E_RNA)
where:
Base-Base interactions energy: -54.847
where: short stacking energy: -28.214
Base-Backbone interact. energy: -0.293
local terms energy: -57.388468
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -5.947
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: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -81.970021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.970021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.970021 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -29.637
Base-Backbone interact. energy: -0.131
local terms energy: -52.201782
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.081
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: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -72.151824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.151824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.151824 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -25.209
Base-Backbone interact. energy: 1.016
local terms energy: -47.958537
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -70.228583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.228583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.228583 (E_RNA)
where:
Base-Base interactions energy: -20.073
where: short stacking energy: -11.939
Base-Backbone interact. energy: -0.392
local terms energy: -49.763149
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -5.803
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: 285
Temperature: 1.350000
Total energy: -72.582293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.582293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.582293 (E_RNA)
where:
Base-Base interactions energy: -27.681
where: short stacking energy: -16.994
Base-Backbone interact. energy: -0.111
local terms energy: -44.790420
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -211.515021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.515021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.515021 (E_RNA)
where:
Base-Base interactions energy: -136.702
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.000
local terms energy: -74.812887
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -206.245136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.245136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.245136 (E_RNA)
where:
Base-Base interactions energy: -130.127
where: short stacking energy: -60.937
Base-Backbone interact. energy: 0.801
local terms energy: -76.919310
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -174.077392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.077392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.077392 (E_RNA)
where:
Base-Base interactions energy: -111.620
where: short stacking energy: -47.495
Base-Backbone interact. energy: -0.094
local terms energy: -62.363904
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -175.908267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.908267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.908267 (E_RNA)
where:
Base-Base interactions energy: -110.001
where: short stacking energy: -53.225
Base-Backbone interact. energy: 0.439
local terms energy: -66.345892
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -124.960846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.960846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.960846 (E_RNA)
where:
Base-Base interactions energy: -70.984
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.121
local terms energy: -53.855250
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -94.049237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.049237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.049237 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -14.170
Base-Backbone interact. energy: -0.930
local terms energy: -45.853400
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -7.411
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -0.369
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: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -83.527986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.527986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.527986 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -34.591
Base-Backbone interact. energy: 0.019
local terms energy: -48.955985
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.200
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: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -75.372802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.372802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.372802 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -26.523
Base-Backbone interact. energy: 1.049
local terms energy: -44.745239
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: 1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -74.646850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.646850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.646850 (E_RNA)
where:
Base-Base interactions energy: -28.783
where: short stacking energy: -28.048
Base-Backbone interact. energy: -0.170
local terms energy: -45.693867
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -71.777595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.777595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.777595 (E_RNA)
where:
Base-Base interactions energy: -20.928
where: short stacking energy: -15.945
Base-Backbone interact. energy: -0.177
local terms energy: -50.672518
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -207.551461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.551461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.551461 (E_RNA)
where:
Base-Base interactions energy: -130.354
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.002
local terms energy: -77.194681
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -203.072118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.072118 (E_RNA)
where:
Base-Base interactions energy: -135.246
where: short stacking energy: -62.120
Base-Backbone interact. energy: -0.001
local terms energy: -67.825784
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -172.734768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.734768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.734768 (E_RNA)
where:
Base-Base interactions energy: -105.737
where: short stacking energy: -50.376
Base-Backbone interact. energy: -0.314
local terms energy: -66.683539
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -175.989229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.989229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.989229 (E_RNA)
where:
Base-Base interactions energy: -111.318
where: short stacking energy: -49.161
Base-Backbone interact. energy: -0.016
local terms energy: -64.654644
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -15.971
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: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -105.917557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.917557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.917557 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -43.083
Base-Backbone interact. energy: -0.976
local terms energy: -61.858465
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -7.632
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: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -101.088749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.088749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.088749 (E_RNA)
where:
Base-Base interactions energy: -40.389
where: short stacking energy: -40.389
Base-Backbone interact. energy: -0.156
local terms energy: -60.544195
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -10.577
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -82.198760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.198760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.198760 (E_RNA)
where:
Base-Base interactions energy: -38.791
where: short stacking energy: -38.791
Base-Backbone interact. energy: 0.394
local terms energy: -43.801693
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -3.373
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: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -108.593421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.593421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.593421 (E_RNA)
where:
Base-Base interactions energy: -54.227
where: short stacking energy: -41.321
Base-Backbone interact. energy: 0.322
local terms energy: -54.688384
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -85.655065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655065 (E_RNA)
where:
Base-Base interactions energy: -32.513
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.039
local terms energy: -53.103661
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -77.819448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819448 (E_RNA)
where:
Base-Base interactions energy: -28.200
where: short stacking energy: -27.490
Base-Backbone interact. energy: 0.120
local terms energy: -49.739519
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -209.535111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.535111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.535111 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.179
local terms energy: -77.102197
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -217.895876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.895876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.895876 (E_RNA)
where:
Base-Base interactions energy: -146.647
where: short stacking energy: -65.162
Base-Backbone interact. energy: -0.008
local terms energy: -71.240720
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -190.739269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.739269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.739269 (E_RNA)
where:
Base-Base interactions energy: -129.112
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.625
local terms energy: -61.002776
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -15.761
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: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -178.700220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.700220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.700220 (E_RNA)
where:
Base-Base interactions energy: -113.649
where: short stacking energy: -51.758
Base-Backbone interact. energy: -0.261
local terms energy: -64.789486
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -134.147635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.147635 (E_RNA)
where:
Base-Base interactions energy: -81.193
where: short stacking energy: -32.163
Base-Backbone interact. energy: -0.895
local terms energy: -52.059157
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -0.886
tors. eta vs tors. theta energy: -6.149
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: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -98.352886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.352886 (E_RNA)
where:
Base-Base interactions energy: -41.680
where: short stacking energy: -37.650
Base-Backbone interact. energy: -0.076
local terms energy: -56.597234
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -78.228920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228920 (E_RNA)
where:
Base-Base interactions energy: -31.042
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.579
local terms energy: -46.607935
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: 3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -100.180526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.180526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.180526 (E_RNA)
where:
Base-Base interactions energy: -49.636
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.124
local terms energy: -50.420727
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -70.506083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.506083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.506083 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -29.942
Base-Backbone interact. energy: -0.073
local terms energy: -38.570570
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -8.063
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -64.614606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.614606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.614606 (E_RNA)
where:
Base-Base interactions energy: -15.886
where: short stacking energy: -13.440
Base-Backbone interact. energy: -0.120
local terms energy: -48.608888
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -213.828560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.828560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.828560 (E_RNA)
where:
Base-Base interactions energy: -141.642
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.262
local terms energy: -71.923855
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -7.367
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -201.256421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.256421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.256421 (E_RNA)
where:
Base-Base interactions energy: -136.369
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.728
local terms energy: -64.159788
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -164.923837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.923837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.923837 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.066
local terms energy: -63.906210
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -174.847045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.847045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.847045 (E_RNA)
where:
Base-Base interactions energy: -108.346
where: short stacking energy: -52.024
Base-Backbone interact. energy: -0.470
local terms energy: -66.031044
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -102.648572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.648572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.648572 (E_RNA)
where:
Base-Base interactions energy: -52.417
where: short stacking energy: -30.953
Base-Backbone interact. energy: -0.320
local terms energy: -49.910901
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -92.515016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.515016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.515016 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.378
local terms energy: -54.222239
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -77.748137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.748137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.748137 (E_RNA)
where:
Base-Base interactions energy: -19.920
where: short stacking energy: -19.887
Base-Backbone interact. energy: -1.252
local terms energy: -56.575707
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -84.333096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.333096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.333096 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -29.398
Base-Backbone interact. energy: -0.186
local terms energy: -50.006145
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -95.932473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932473 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -43.089
Base-Backbone interact. energy: -0.048
local terms energy: -52.671963
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -4.516
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: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -69.088422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.088422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.088422 (E_RNA)
where:
Base-Base interactions energy: -27.742
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.376
local terms energy: -40.971098
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -1.612
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: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -203.742620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.742620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.742620 (E_RNA)
where:
Base-Base interactions energy: -132.605
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.103
local terms energy: -71.035479
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -207.788031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.788031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.788031 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.001
local terms energy: -75.354178
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -177.021290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.021290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.021290 (E_RNA)
where:
Base-Base interactions energy: -114.342
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.566
local terms energy: -62.112855
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.674
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -174.988606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.988606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.988606 (E_RNA)
where:
Base-Base interactions energy: -109.296
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.046
local terms energy: -65.646424
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -93.884745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.884745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.884745 (E_RNA)
where:
Base-Base interactions energy: -36.768
where: short stacking energy: -36.768
Base-Backbone interact. energy: -0.205
local terms energy: -56.911571
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -93.550971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.550971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.550971 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -33.870
Base-Backbone interact. energy: -0.197
local terms energy: -49.604200
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -9.242
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -88.030813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.030813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.030813 (E_RNA)
where:
Base-Base interactions energy: -40.432
where: short stacking energy: -17.699
Base-Backbone interact. energy: -0.101
local terms energy: -47.498576
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -80.647621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.647621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.647621 (E_RNA)
where:
Base-Base interactions energy: -20.074
where: short stacking energy: -20.074
Base-Backbone interact. energy: -0.107
local terms energy: -60.466304
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -10.066
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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -79.218355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.218355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.218355 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -22.703
Base-Backbone interact. energy: -0.191
local terms energy: -45.052832
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -81.240646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.240646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.240646 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -22.823
Base-Backbone interact. energy: -0.209
local terms energy: -40.097241
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -6.816
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -212.310356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.310356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.310356 (E_RNA)
where:
Base-Base interactions energy: -142.981
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.003
local terms energy: -69.326148
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -209.222065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.222065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.222065 (E_RNA)
where:
Base-Base interactions energy: -137.592
where: short stacking energy: -61.150
Base-Backbone interact. energy: -0.112
local terms energy: -71.518422
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -6.664
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: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -162.768492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.768492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.768492 (E_RNA)
where:
Base-Base interactions energy: -101.709
where: short stacking energy: -44.522
Base-Backbone interact. energy: -0.137
local terms energy: -60.923128
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -173.211997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.211997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.211997 (E_RNA)
where:
Base-Base interactions energy: -108.000
where: short stacking energy: -55.677
Base-Backbone interact. energy: -0.799
local terms energy: -64.413654
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -104.016739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.016739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.016739 (E_RNA)
where:
Base-Base interactions energy: -49.530
where: short stacking energy: -46.287
Base-Backbone interact. energy: -1.284
local terms energy: -53.203003
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -6.762
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: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -89.736149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.736149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.736149 (E_RNA)
where:
Base-Base interactions energy: -37.448
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.386
local terms energy: -51.902607
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -85.450824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450824 (E_RNA)
where:
Base-Base interactions energy: -22.715
where: short stacking energy: -21.324
Base-Backbone interact. energy: -0.010
local terms energy: -62.725330
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.674
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: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -80.044257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.044257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.044257 (E_RNA)
where:
Base-Base interactions energy: -29.967
where: short stacking energy: -29.295
Base-Backbone interact. energy: -0.069
local terms energy: -50.008087
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -87.652992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652992 (E_RNA)
where:
Base-Base interactions energy: -30.291
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.005
local terms energy: -57.357184
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -9.496
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: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -70.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.637799 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -16.229
Base-Backbone interact. energy: 0.060
local terms energy: -42.430400
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -1.579
tors. eta vs tors. theta energy: -0.194
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: 292
Temperature: 0.900000
Total energy: -209.511213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.511213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.511213 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.405
local terms energy: -69.293674
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -208.112720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.112720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.112720 (E_RNA)
where:
Base-Base interactions energy: -142.871
where: short stacking energy: -59.578
Base-Backbone interact. energy: -0.577
local terms energy: -64.664694
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -17.754
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: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -173.217666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.217666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.217666 (E_RNA)
where:
Base-Base interactions energy: -104.373
where: short stacking energy: -45.880
Base-Backbone interact. energy: -1.345
local terms energy: -67.498849
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -179.334767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.334767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.334767 (E_RNA)
where:
Base-Base interactions energy: -110.505
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.244
local terms energy: -68.585486
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -6.410
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: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -90.309550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309550 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -38.113
Base-Backbone interact. energy: -0.061
local terms energy: -51.950343
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -107.651008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.651008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.651008 (E_RNA)
where:
Base-Base interactions energy: -53.350
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.646
local terms energy: -53.654561
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -122.252305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.252305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.252305 (E_RNA)
where:
Base-Base interactions energy: -78.680
where: short stacking energy: -27.707
Base-Backbone interact. energy: -0.924
local terms energy: -42.648264
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -3.866
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: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -77.427188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.427188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.427188 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -25.416
Base-Backbone interact. energy: -0.136
local terms energy: -46.163678
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -5.450
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: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -76.139078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.139078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.139078 (E_RNA)
where:
Base-Base interactions energy: -32.461
where: short stacking energy: -31.003
Base-Backbone interact. energy: -0.087
local terms energy: -43.590199
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -8.059
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -79.339623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.339623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.339623 (E_RNA)
where:
Base-Base interactions energy: -35.731
where: short stacking energy: -26.207
Base-Backbone interact. energy: -0.257
local terms energy: -43.351757
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -212.352880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.352880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.352880 (E_RNA)
where:
Base-Base interactions energy: -142.975
where: short stacking energy: -67.004
Base-Backbone interact. energy: -0.001
local terms energy: -69.376934
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -5.218
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: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -199.902991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.902991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.902991 (E_RNA)
where:
Base-Base interactions energy: -134.617
where: short stacking energy: -62.432
Base-Backbone interact. energy: 0.019
local terms energy: -65.304771
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -177.821260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.821260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.821260 (E_RNA)
where:
Base-Base interactions energy: -116.522
where: short stacking energy: -55.193
Base-Backbone interact. energy: 0.463
local terms energy: -61.762295
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -10.116
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: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -188.948474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.948474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.948474 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.008
local terms energy: -61.741121
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -8.959
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -101.737198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.737198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.737198 (E_RNA)
where:
Base-Base interactions energy: -53.474
where: short stacking energy: -40.634
Base-Backbone interact. energy: -0.092
local terms energy: -48.170880
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -8.512
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: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -102.056181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.056181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.056181 (E_RNA)
where:
Base-Base interactions energy: -46.108
where: short stacking energy: -35.521
Base-Backbone interact. energy: -0.287
local terms energy: -55.660250
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -10.107
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -95.965771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.965771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.965771 (E_RNA)
where:
Base-Base interactions energy: -44.924
where: short stacking energy: -31.099
Base-Backbone interact. energy: -0.374
local terms energy: -50.667537
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -7.711
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: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -74.225538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.225538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.225538 (E_RNA)
where:
Base-Base interactions energy: -26.013
where: short stacking energy: -16.983
Base-Backbone interact. energy: -0.132
local terms energy: -48.080539
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -81.427999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.427999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.427999 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -25.601
Base-Backbone interact. energy: -0.228
local terms energy: -46.967309
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.621
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: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -77.058890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.058890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.058890 (E_RNA)
where:
Base-Base interactions energy: -31.322
where: short stacking energy: -24.867
Base-Backbone interact. energy: 0.427
local terms energy: -46.163064
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -3.178
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: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -212.562432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.562432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.562432 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.002
local terms energy: -75.779913
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -21.026
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: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -200.240815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.240815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.240815 (E_RNA)
where:
Base-Base interactions energy: -133.839
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.002
local terms energy: -66.399086
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -16.391
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -184.868156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.868156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.868156 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.082
local terms energy: -66.219157
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -157.530748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.530748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.530748 (E_RNA)
where:
Base-Base interactions energy: -96.886
where: short stacking energy: -40.922
Base-Backbone interact. energy: -0.022
local terms energy: -60.623074
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -99.293094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.293094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.293094 (E_RNA)
where:
Base-Base interactions energy: -44.331
where: short stacking energy: -34.133
Base-Backbone interact. energy: -0.385
local terms energy: -54.577060
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -94.247187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.247187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.247187 (E_RNA)
where:
Base-Base interactions energy: -43.697
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.119
local terms energy: -50.431052
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -7.165
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -82.633824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.633824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.633824 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -33.758
Base-Backbone interact. energy: -0.270
local terms energy: -47.275620
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -76.763045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.763045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.763045 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.067
local terms energy: -41.555292
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -8.500
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -78.412180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.412180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.412180 (E_RNA)
where:
Base-Base interactions energy: -29.786
where: short stacking energy: -21.744
Base-Backbone interact. energy: -0.149
local terms energy: -48.477490
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -70.108171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.108171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.108171 (E_RNA)
where:
Base-Base interactions energy: -22.710
where: short stacking energy: -20.424
Base-Backbone interact. energy: -0.397
local terms energy: -47.001324
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -203.817322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.817322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.817322 (E_RNA)
where:
Base-Base interactions energy: -134.613
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.002
local terms energy: -69.202931
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -11.943
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: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -198.364287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.364287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.364287 (E_RNA)
where:
Base-Base interactions energy: -130.072
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.109
local terms energy: -68.183291
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -182.628799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.628799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.628799 (E_RNA)
where:
Base-Base interactions energy: -121.335
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.005
local terms energy: -61.289285
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -3.108
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: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -91.943740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943740 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.007
local terms energy: -52.770859
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -7.351
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: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -148.586146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.586146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.586146 (E_RNA)
where:
Base-Base interactions energy: -88.945
where: short stacking energy: -38.910
Base-Backbone interact. energy: -0.047
local terms energy: -59.594428
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -12.871
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -92.074904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.074904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.074904 (E_RNA)
where:
Base-Base interactions energy: -28.753
where: short stacking energy: -24.201
Base-Backbone interact. energy: -0.000
local terms energy: -63.321648
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -75.343936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.343936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.343936 (E_RNA)
where:
Base-Base interactions energy: -25.396
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.154
local terms energy: -49.794004
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -10.550
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: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -101.247197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.247197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.247197 (E_RNA)
where:
Base-Base interactions energy: -52.785
where: short stacking energy: -35.095
Base-Backbone interact. energy: -1.102
local terms energy: -47.360159
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -2.161
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: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -79.900923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.900923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.900923 (E_RNA)
where:
Base-Base interactions energy: -41.784
where: short stacking energy: -33.643
Base-Backbone interact. energy: -1.659
local terms energy: -36.457713
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -6.295
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -3.028
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: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -73.169434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.169434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.169434 (E_RNA)
where:
Base-Base interactions energy: -23.628
where: short stacking energy: -23.628
Base-Backbone interact. energy: -1.552
local terms energy: -47.989071
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -3.725
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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -203.125177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.125177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.125177 (E_RNA)
where:
Base-Base interactions energy: -124.853
where: short stacking energy: -47.798
Base-Backbone interact. energy: -0.017
local terms energy: -78.254960
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -198.971352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.971352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.971352 (E_RNA)
where:
Base-Base interactions energy: -131.730
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.013
local terms energy: -67.228339
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -173.038950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.038950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.038950 (E_RNA)
where:
Base-Base interactions energy: -106.076
where: short stacking energy: -43.287
Base-Backbone interact. energy: 0.819
local terms energy: -67.781282
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -13.043
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: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -116.998151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.998151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.998151 (E_RNA)
where:
Base-Base interactions energy: -63.516
where: short stacking energy: -34.726
Base-Backbone interact. energy: -0.216
local terms energy: -53.266914
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -155.916352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.916352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.916352 (E_RNA)
where:
Base-Base interactions energy: -96.261
where: short stacking energy: -41.231
Base-Backbone interact. energy: -0.377
local terms energy: -59.279120
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -81.309029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.309029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.309029 (E_RNA)
where:
Base-Base interactions energy: -29.104
where: short stacking energy: -29.104
Base-Backbone interact. energy: -0.168
local terms energy: -52.036820
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -5.574
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: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -87.525381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.525381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.525381 (E_RNA)
where:
Base-Base interactions energy: -39.094
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.122
local terms energy: -48.310123
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -0.180
tors. eta vs tors. theta energy: -9.910
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: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -93.881483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.881483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.881483 (E_RNA)
where:
Base-Base interactions energy: -41.012
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.032
local terms energy: -52.837357
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -110.694400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.694400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.694400 (E_RNA)
where:
Base-Base interactions energy: -59.944
where: short stacking energy: -18.940
Base-Backbone interact. energy: -0.225
local terms energy: -50.526047
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.796
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: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -72.110989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.110989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.110989 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -22.206
Base-Backbone interact. energy: -0.229
local terms energy: -40.856505
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -2.779
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: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -206.415291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.415291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.415291 (E_RNA)
where:
Base-Base interactions energy: -134.870
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.044
local terms energy: -71.501343
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -17.840
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: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -212.599238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.599238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.599238 (E_RNA)
where:
Base-Base interactions energy: -137.180
where: short stacking energy: -69.219
Base-Backbone interact. energy: 0.123
local terms energy: -75.541734
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -157.057997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.057997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.057997 (E_RNA)
where:
Base-Base interactions energy: -91.762
where: short stacking energy: -44.680
Base-Backbone interact. energy: -0.065
local terms energy: -65.230686
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -13.214
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: 297
Temperature: 1.050000
Total energy: -182.046270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.046270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.046270 (E_RNA)
where:
Base-Base interactions energy: -118.483
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.009
local terms energy: -63.554611
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -118.757434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757434 (E_RNA)
where:
Base-Base interactions energy: -68.348
where: short stacking energy: -33.843
Base-Backbone interact. energy: 0.751
local terms energy: -51.159997
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -92.997603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.997603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.997603 (E_RNA)
where:
Base-Base interactions energy: -31.076
where: short stacking energy: -31.076
Base-Backbone interact. energy: -0.096
local terms energy: -61.825573
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -6.131
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: 297
Temperature: 1.200000
Total energy: -88.883735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.883735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.883735 (E_RNA)
where:
Base-Base interactions energy: -38.372
where: short stacking energy: -24.500
Base-Backbone interact. energy: -0.604
local terms energy: -49.907221
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -126.294133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.294133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.294133 (E_RNA)
where:
Base-Base interactions energy: -73.495
where: short stacking energy: -34.089
Base-Backbone interact. energy: 0.868
local terms energy: -53.666932
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -94.299458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.299458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.299458 (E_RNA)
where:
Base-Base interactions energy: -51.417
where: short stacking energy: -29.781
Base-Backbone interact. energy: -0.544
local terms energy: -42.338564
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -2.293
flat angles P-C4'-P energy: -11.594
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: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -76.162022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.162022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.162022 (E_RNA)
where:
Base-Base interactions energy: -28.466
where: short stacking energy: -28.466
Base-Backbone interact. energy: -0.024
local terms energy: -47.672483
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -212.263714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.263714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.263714 (E_RNA)
where:
Base-Base interactions energy: -135.675
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.055
local terms energy: -76.533930
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -8.434
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: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -197.823775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.823775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.823775 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.184
local terms energy: -67.524686
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -183.641043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.641043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.641043 (E_RNA)
where:
Base-Base interactions energy: -110.281
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.239
local terms energy: -73.120770
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -162.699783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.699783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.699783 (E_RNA)
where:
Base-Base interactions energy: -96.425
where: short stacking energy: -44.126
Base-Backbone interact. energy: 0.571
local terms energy: -66.845288
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.220
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -125.210008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.210008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.210008 (E_RNA)
where:
Base-Base interactions energy: -73.969
where: short stacking energy: -41.799
Base-Backbone interact. energy: 1.654
local terms energy: -52.895405
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -11.542
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -92.556728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.556728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.556728 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -24.986
Base-Backbone interact. energy: -0.580
local terms energy: -52.456095
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -146.675180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.675180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.675180 (E_RNA)
where:
Base-Base interactions energy: -91.035
where: short stacking energy: -44.984
Base-Backbone interact. energy: -0.123
local terms energy: -55.517158
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -87.652790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652790 (E_RNA)
where:
Base-Base interactions energy: -39.877
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.257
local terms energy: -47.518112
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -76.466137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.466137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.466137 (E_RNA)
where:
Base-Base interactions energy: -24.749
where: short stacking energy: -24.705
Base-Backbone interact. energy: 0.216
local terms energy: -51.932623
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.143
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: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -72.550323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.550323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.550323 (E_RNA)
where:
Base-Base interactions energy: -31.275
where: short stacking energy: -26.740
Base-Backbone interact. energy: 1.056
local terms energy: -42.330764
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -212.342613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.342613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.342613 (E_RNA)
where:
Base-Base interactions energy: -140.954
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.610
local terms energy: -70.778822
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -2.570
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -204.152615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.152615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152615 (E_RNA)
where:
Base-Base interactions energy: -137.505
where: short stacking energy: -66.825
Base-Backbone interact. energy: -0.077
local terms energy: -66.569996
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -2.320
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -189.986647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986647 (E_RNA)
where:
Base-Base interactions energy: -120.722
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.028
local terms energy: -69.236900
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -150.304589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.304589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.304589 (E_RNA)
where:
Base-Base interactions energy: -101.287
where: short stacking energy: -41.119
Base-Backbone interact. energy: -0.180
local terms energy: -48.837153
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -176.424082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.424082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.424082 (E_RNA)
where:
Base-Base interactions energy: -114.758
where: short stacking energy: -47.144
Base-Backbone interact. energy: -0.115
local terms energy: -61.551217
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -16.303
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -142.906632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.906632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.906632 (E_RNA)
where:
Base-Base interactions energy: -86.315
where: short stacking energy: -43.136
Base-Backbone interact. energy: -1.963
local terms energy: -54.628847
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -85.737497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.737497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.737497 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.129
local terms energy: -53.487703
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -82.237831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237831 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -30.122
Base-Backbone interact. energy: -0.013
local terms energy: -49.638366
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -5.813
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: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -82.617570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.617570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.617570 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -33.283
Base-Backbone interact. energy: -0.023
local terms energy: -46.808967
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -7.113
flat angles C4'-P-C4' energy: -8.709
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -80.034199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.034199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.034199 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -27.986
Base-Backbone interact. energy: 0.265
local terms energy: -52.023037
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -213.011662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.011662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.011662 (E_RNA)
where:
Base-Base interactions energy: -140.348
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.002
local terms energy: -72.661169
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -199.957326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.957326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.957326 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.002
local terms energy: -75.517089
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -12.135
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: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -158.285560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.285560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.285560 (E_RNA)
where:
Base-Base interactions energy: -99.691
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.023
local terms energy: -58.571306
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -12.750
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: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -174.570047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570047 (E_RNA)
where:
Base-Base interactions energy: -106.489
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.093
local terms energy: -67.988152
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -19.982
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: 300
Temperature: 1.100000
Total energy: -175.767650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.767650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.767650 (E_RNA)
where:
Base-Base interactions energy: -111.167
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.637
local terms energy: -63.963312
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -14.369
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: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -120.734489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.734489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.734489 (E_RNA)
where:
Base-Base interactions energy: -75.228
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.270
local terms energy: -45.236003
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -85.688731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.688731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.688731 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.265
local terms energy: -51.774570
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -3.997
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: 300
Temperature: 1.250000
Total energy: -79.244726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.244726 (E_RNA)
where:
Base-Base interactions energy: -24.004
where: short stacking energy: -24.004
Base-Backbone interact. energy: -1.272
local terms energy: -53.968768
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -5.364
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: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -78.237082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237082 (E_RNA)
where:
Base-Base interactions energy: -28.088
where: short stacking energy: -27.369
Base-Backbone interact. energy: 0.302
local terms energy: -50.450516
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -1.393
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: 300
Temperature: 1.350000
Total energy: -78.599747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.599747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.599747 (E_RNA)
where:
Base-Base interactions energy: -31.558
where: short stacking energy: -18.783
Base-Backbone interact. energy: -1.177
local terms energy: -45.865228
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: 0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -208.524326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.524326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.524326 (E_RNA)
where:
Base-Base interactions energy: -137.328
where: short stacking energy: -54.609
Base-Backbone interact. energy: -0.004
local terms energy: -71.192455
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -199.259746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.259746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.259746 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.598
local terms energy: -70.431412
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -145.314782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.314782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.314782 (E_RNA)
where:
Base-Base interactions energy: -84.713
where: short stacking energy: -37.890
Base-Backbone interact. energy: -0.002
local terms energy: -60.600204
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -9.094
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: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -185.958307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.958307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.958307 (E_RNA)
where:
Base-Base interactions energy: -112.773
where: short stacking energy: -54.529
Base-Backbone interact. energy: -0.001
local terms energy: -73.183592
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -172.140821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.140821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.140821 (E_RNA)
where:
Base-Base interactions energy: -108.168
where: short stacking energy: -44.535
Base-Backbone interact. energy: -0.445
local terms energy: -63.527951
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -9.066
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: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -129.576920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.576920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.576920 (E_RNA)
where:
Base-Base interactions energy: -74.592
where: short stacking energy: -42.174
Base-Backbone interact. energy: -0.289
local terms energy: -54.696716
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -7.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -112.060806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.060806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.060806 (E_RNA)
where:
Base-Base interactions energy: -65.327
where: short stacking energy: -38.878
Base-Backbone interact. energy: 0.467
local terms energy: -47.200643
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -5.050
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: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -75.557894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.557894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.557894 (E_RNA)
where:
Base-Base interactions energy: -36.507
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.032
local terms energy: -39.018873
where:
bonds (distance) C4'-P energy: -8.122
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: 2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -83.241821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241821 (E_RNA)
where:
Base-Base interactions energy: -42.985
where: short stacking energy: -16.345
Base-Backbone interact. energy: 2.136
local terms energy: -42.392908
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: 3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -77.212540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.212540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.212540 (E_RNA)
where:
Base-Base interactions energy: -22.926
where: short stacking energy: -21.618
Base-Backbone interact. energy: -0.219
local terms energy: -54.067402
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -196.632422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.632422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.632422 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.095
local terms energy: -66.740750
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -194.564478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564478 (E_RNA)
where:
Base-Base interactions energy: -127.320
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.425
local terms energy: -66.819924
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -8.956
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: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -201.808837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.808837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.808837 (E_RNA)
where:
Base-Base interactions energy: -125.196
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.003
local terms energy: -76.609765
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -17.746
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: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -165.401606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.401606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.401606 (E_RNA)
where:
Base-Base interactions energy: -94.749
where: short stacking energy: -47.561
Base-Backbone interact. energy: -0.139
local terms energy: -70.513430
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -173.410361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.410361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.410361 (E_RNA)
where:
Base-Base interactions energy: -114.558
where: short stacking energy: -48.219
Base-Backbone interact. energy: -0.027
local terms energy: -58.825286
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -145.745426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.745426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.745426 (E_RNA)
where:
Base-Base interactions energy: -95.880
where: short stacking energy: -53.264
Base-Backbone interact. energy: 1.457
local terms energy: -51.323191
where:
bonds (distance) C4'-P energy: -4.323
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -111.256537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.256537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.256537 (E_RNA)
where:
Base-Base interactions energy: -68.044
where: short stacking energy: -30.940
Base-Backbone interact. energy: -1.023
local terms energy: -42.189608
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: 0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -117.655487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.655487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.655487 (E_RNA)
where:
Base-Base interactions energy: -69.954
where: short stacking energy: -33.596
Base-Backbone interact. energy: 2.009
local terms energy: -49.710914
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -5.634
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: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -79.864165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.864165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.864165 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.146
local terms energy: -45.421816
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -71.723420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.723420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.723420 (E_RNA)
where:
Base-Base interactions energy: -36.353
where: short stacking energy: -9.937
Base-Backbone interact. energy: -1.774
local terms energy: -33.596687
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: 3.895
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: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -200.468572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.468572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.468572 (E_RNA)
where:
Base-Base interactions energy: -132.028
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.289
local terms energy: -68.151773
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -15.924
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: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -203.307679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.307679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307679 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.310
local terms energy: -69.606223
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -9.426
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -203.758608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.758608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.758608 (E_RNA)
where:
Base-Base interactions energy: -141.851
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.063
local terms energy: -61.843998
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -170.528121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.528121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.528121 (E_RNA)
where:
Base-Base interactions energy: -105.341
where: short stacking energy: -47.278
Base-Backbone interact. energy: -0.612
local terms energy: -64.574623
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -16.802
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: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -159.662459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.662459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.662459 (E_RNA)
where:
Base-Base interactions energy: -93.456
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.086
local terms energy: -66.120085
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -16.265
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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -176.426702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.426702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.426702 (E_RNA)
where:
Base-Base interactions energy: -107.687
where: short stacking energy: -48.539
Base-Backbone interact. energy: -0.109
local terms energy: -68.630195
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.190
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: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -93.040046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.040046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.040046 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.166
local terms energy: -52.618077
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -139.046692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.046692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.046692 (E_RNA)
where:
Base-Base interactions energy: -80.233
where: short stacking energy: -41.736
Base-Backbone interact. energy: -1.461
local terms energy: -57.352194
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -12.990
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: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -71.486682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.486682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.486682 (E_RNA)
where:
Base-Base interactions energy: -27.920
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.114
local terms energy: -43.452247
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -86.943355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943355 (E_RNA)
where:
Base-Base interactions energy: -39.068
where: short stacking energy: -22.456
Base-Backbone interact. energy: 1.147
local terms energy: -49.022364
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -6.441
flat angles P-C4'-P energy: -7.769
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: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -208.736448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.736448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.736448 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.073
local terms energy: -73.084700
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -209.398866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.398866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.398866 (E_RNA)
where:
Base-Base interactions energy: -140.352
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.001
local terms energy: -69.046566
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -20.170
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: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -200.975659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.975659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.975659 (E_RNA)
where:
Base-Base interactions energy: -134.511
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.213
local terms energy: -66.251156
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -182.388667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.388667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.388667 (E_RNA)
where:
Base-Base interactions energy: -117.388
where: short stacking energy: -54.214
Base-Backbone interact. energy: -0.019
local terms energy: -64.981773
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -13.198
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: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -183.044719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.044719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.044719 (E_RNA)
where:
Base-Base interactions energy: -116.762
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.031
local terms energy: -66.252216
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -4.315
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: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -159.660672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.660672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.660672 (E_RNA)
where:
Base-Base interactions energy: -93.650
where: short stacking energy: -44.507
Base-Backbone interact. energy: -0.000
local terms energy: -66.009787
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -16.220
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: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -90.959502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959502 (E_RNA)
where:
Base-Base interactions energy: -53.782
where: short stacking energy: -43.464
Base-Backbone interact. energy: 3.730
local terms energy: -40.907187
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -6.348
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -86.576314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.576314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.576314 (E_RNA)
where:
Base-Base interactions energy: -40.431
where: short stacking energy: -29.029
Base-Backbone interact. energy: -0.054
local terms energy: -46.090957
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.774
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: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -72.236914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.236914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.236914 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -19.655
Base-Backbone interact. energy: -0.421
local terms energy: -44.775518
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -12.183
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: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -71.854269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.854269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.854269 (E_RNA)
where:
Base-Base interactions energy: -29.262
where: short stacking energy: -19.790
Base-Backbone interact. energy: -0.304
local terms energy: -42.288291
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -210.734286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.734286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.734286 (E_RNA)
where:
Base-Base interactions energy: -134.203
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.110
local terms energy: -76.420682
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -212.561145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.561145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561145 (E_RNA)
where:
Base-Base interactions energy: -138.700
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.005
local terms energy: -73.856233
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -194.496223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.496223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.496223 (E_RNA)
where:
Base-Base interactions energy: -129.124
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.288
local terms energy: -65.084122
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -14.222
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -200.223554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.223554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.223554 (E_RNA)
where:
Base-Base interactions energy: -129.771
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.022
local terms energy: -70.430370
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -175.123799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.123799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.123799 (E_RNA)
where:
Base-Base interactions energy: -109.481
where: short stacking energy: -47.522
Base-Backbone interact. energy: 0.448
local terms energy: -66.091210
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -16.332
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: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -151.662394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.662394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.662394 (E_RNA)
where:
Base-Base interactions energy: -94.485
where: short stacking energy: -47.296
Base-Backbone interact. energy: 1.349
local terms energy: -58.526253
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -92.461321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.461321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.461321 (E_RNA)
where:
Base-Base interactions energy: -34.301
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.039
local terms energy: -58.121384
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -8.306
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: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -82.783258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.783258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.783258 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.088
local terms energy: -51.050485
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -86.525199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525199 (E_RNA)
where:
Base-Base interactions energy: -35.028
where: short stacking energy: -33.293
Base-Backbone interact. energy: 0.878
local terms energy: -52.375708
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -7.337
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: 305
Temperature: 1.350000
Total energy: -76.326005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.326005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.326005 (E_RNA)
where:
Base-Base interactions energy: -29.400
where: short stacking energy: -27.130
Base-Backbone interact. energy: -0.454
local terms energy: -46.472220
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -0.616
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: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -208.979927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.979927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.979927 (E_RNA)
where:
Base-Base interactions energy: -136.155
where: short stacking energy: -59.422
Base-Backbone interact. energy: 0.652
local terms energy: -73.477331
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -194.034706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.034706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.034706 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.008
local terms energy: -68.502204
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -193.858564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.858564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.858564 (E_RNA)
where:
Base-Base interactions energy: -124.903
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.001
local terms energy: -68.954836
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.785
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: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -186.511281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.511281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.511281 (E_RNA)
where:
Base-Base interactions energy: -119.566
where: short stacking energy: -48.348
Base-Backbone interact. energy: -0.608
local terms energy: -66.336602
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -10.255
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -160.027412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.027412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.027412 (E_RNA)
where:
Base-Base interactions energy: -101.786
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.661
local terms energy: -57.580385
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -10.155
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: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -151.982111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.982111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.982111 (E_RNA)
where:
Base-Base interactions energy: -100.300
where: short stacking energy: -37.165
Base-Backbone interact. energy: -0.019
local terms energy: -51.663055
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -10.484
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: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -91.805047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.805047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.805047 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -26.661
Base-Backbone interact. energy: -0.047
local terms energy: -61.993997
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -77.963347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.963347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.963347 (E_RNA)
where:
Base-Base interactions energy: -35.983
where: short stacking energy: -35.983
Base-Backbone interact. energy: -0.098
local terms energy: -41.882511
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -6.000
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -75.089404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.089404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.089404 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -31.319
Base-Backbone interact. energy: -0.020
local terms energy: -43.749892
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -2.393
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: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -77.072749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.072749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.072749 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -15.281
Base-Backbone interact. energy: 0.706
local terms energy: -43.586385
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -3.114
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -3.953
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: 307
Temperature: 0.900000
Total energy: -204.366712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.366712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.366712 (E_RNA)
where:
Base-Base interactions energy: -128.882
where: short stacking energy: -57.856
Base-Backbone interact. energy: -0.094
local terms energy: -75.391464
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -22.026
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: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -201.021000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.021000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.021000 (E_RNA)
where:
Base-Base interactions energy: -135.105
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.000
local terms energy: -65.915828
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -7.957
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: 307
Temperature: 1.000000
Total energy: -201.256803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.256803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.256803 (E_RNA)
where:
Base-Base interactions energy: -133.086
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.001
local terms energy: -68.170067
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -169.758493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.758493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.758493 (E_RNA)
where:
Base-Base interactions energy: -103.622
where: short stacking energy: -40.144
Base-Backbone interact. energy: -0.243
local terms energy: -65.893556
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -14.526
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: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -177.408759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.408759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.408759 (E_RNA)
where:
Base-Base interactions energy: -110.502
where: short stacking energy: -48.528
Base-Backbone interact. energy: -0.467
local terms energy: -66.440692
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -16.618
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: 307
Temperature: 1.150000
Total energy: -167.334031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.334031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.334031 (E_RNA)
where:
Base-Base interactions energy: -100.118
where: short stacking energy: -48.443
Base-Backbone interact. energy: -0.698
local terms energy: -66.517577
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -91.576004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.576004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.576004 (E_RNA)
where:
Base-Base interactions energy: -37.164
where: short stacking energy: -35.834
Base-Backbone interact. energy: -0.084
local terms energy: -54.327975
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -10.577
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: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -78.599036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.599036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.599036 (E_RNA)
where:
Base-Base interactions energy: -32.368
where: short stacking energy: -27.057
Base-Backbone interact. energy: 0.614
local terms energy: -46.844536
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -70.414981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.414981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.414981 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -17.691
Base-Backbone interact. energy: -0.232
local terms energy: -42.215983
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -2.694
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -86.021434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.021434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.021434 (E_RNA)
where:
Base-Base interactions energy: -36.683
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.002
local terms energy: -49.336465
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -2.517
tors. eta vs tors. theta energy: -7.852
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: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -198.869226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.869226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.869226 (E_RNA)
where:
Base-Base interactions energy: -128.229
where: short stacking energy: -53.159
Base-Backbone interact. energy: -0.124
local terms energy: -70.516707
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -195.783604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.783604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.783604 (E_RNA)
where:
Base-Base interactions energy: -122.869
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.028
local terms energy: -72.886168
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -192.908597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.908597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.908597 (E_RNA)
where:
Base-Base interactions energy: -123.787
where: short stacking energy: -60.861
Base-Backbone interact. energy: -0.292
local terms energy: -68.829176
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -7.155
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: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -154.293728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.293728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.293728 (E_RNA)
where:
Base-Base interactions energy: -100.232
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.133
local terms energy: -53.929078
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -1.972
tors. eta vs tors. theta energy: -10.517
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -176.288095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.288095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.288095 (E_RNA)
where:
Base-Base interactions energy: -108.162
where: short stacking energy: -53.264
Base-Backbone interact. energy: -0.007
local terms energy: -68.119339
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -8.721
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: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -158.754481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.754481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.754481 (E_RNA)
where:
Base-Base interactions energy: -95.869
where: short stacking energy: -47.323
Base-Backbone interact. energy: -0.079
local terms energy: -62.806588
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -2.960
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: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -80.578198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.578198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.578198 (E_RNA)
where:
Base-Base interactions energy: -42.605
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.088
local terms energy: -37.885304
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -5.362
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -88.396528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.396528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.396528 (E_RNA)
where:
Base-Base interactions energy: -39.838
where: short stacking energy: -33.741
Base-Backbone interact. energy: -0.105
local terms energy: -48.453378
where:
bonds (distance) C4'-P energy: -7.786
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.211
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: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -75.887635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.887635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.887635 (E_RNA)
where:
Base-Base interactions energy: -23.651
where: short stacking energy: -19.384
Base-Backbone interact. energy: -0.033
local terms energy: -52.203381
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -76.873944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.873944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.873944 (E_RNA)
where:
Base-Base interactions energy: -26.745
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.124
local terms energy: -50.004274
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -5.623
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -192.970445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.970445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.970445 (E_RNA)
where:
Base-Base interactions energy: -126.443
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.088
local terms energy: -66.438644
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -193.940638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.940638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.940638 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.062
local terms energy: -67.052427
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -191.596869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.596869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.596869 (E_RNA)
where:
Base-Base interactions energy: -125.947
where: short stacking energy: -56.836
Base-Backbone interact. energy: -0.152
local terms energy: -65.497546
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -175.966892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.966892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.966892 (E_RNA)
where:
Base-Base interactions energy: -109.657
where: short stacking energy: -49.317
Base-Backbone interact. energy: -0.002
local terms energy: -66.308157
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -143.233958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.233958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.233958 (E_RNA)
where:
Base-Base interactions energy: -83.445
where: short stacking energy: -40.746
Base-Backbone interact. energy: -0.049
local terms energy: -59.739846
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -136.380430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.380430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.380430 (E_RNA)
where:
Base-Base interactions energy: -89.805
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.008
local terms energy: -46.567748
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -99.656395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.656395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.656395 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -43.111
Base-Backbone interact. energy: -0.012
local terms energy: -56.533054
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -7.931
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: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -88.471818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.471818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.471818 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.493
local terms energy: -52.483693
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -80.708101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.708101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.708101 (E_RNA)
where:
Base-Base interactions energy: -35.252
where: short stacking energy: -26.317
Base-Backbone interact. energy: -0.161
local terms energy: -45.295325
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -79.064961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064961 (E_RNA)
where:
Base-Base interactions energy: -31.463
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.109
local terms energy: -47.493127
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -204.439866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.439866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.439866 (E_RNA)
where:
Base-Base interactions energy: -130.707
where: short stacking energy: -54.215
Base-Backbone interact. energy: -0.079
local terms energy: -73.653203
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -195.286165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.286165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.286165 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.002
local terms energy: -62.580908
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -196.661399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.661399 (E_RNA)
where:
Base-Base interactions energy: -132.553
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.001
local terms energy: -64.107083
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -193.596565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.596565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.596565 (E_RNA)
where:
Base-Base interactions energy: -125.912
where: short stacking energy: -59.951
Base-Backbone interact. energy: 1.641
local terms energy: -69.325185
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -144.316549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.316549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.316549 (E_RNA)
where:
Base-Base interactions energy: -90.028
where: short stacking energy: -48.991
Base-Backbone interact. energy: -0.174
local terms energy: -54.114862
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -11.971
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: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -130.803219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.803219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.803219 (E_RNA)
where:
Base-Base interactions energy: -79.533
where: short stacking energy: -33.760
Base-Backbone interact. energy: -0.032
local terms energy: -51.238821
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.453
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: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -93.443935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.443935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.443935 (E_RNA)
where:
Base-Base interactions energy: -46.842
where: short stacking energy: -37.357
Base-Backbone interact. energy: -0.101
local terms energy: -46.500597
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -6.719
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: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -88.272607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.272607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.272607 (E_RNA)
where:
Base-Base interactions energy: -34.008
where: short stacking energy: -24.764
Base-Backbone interact. energy: -0.125
local terms energy: -54.139590
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -9.732
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: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -86.963141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.963141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.963141 (E_RNA)
where:
Base-Base interactions energy: -45.513
where: short stacking energy: -35.578
Base-Backbone interact. energy: 0.213
local terms energy: -41.663161
where:
bonds (distance) C4'-P energy: -6.051
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -81.092267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.092267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.092267 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -24.702
Base-Backbone interact. energy: -0.991
local terms energy: -43.685336
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -213.839861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.839861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.839861 (E_RNA)
where:
Base-Base interactions energy: -139.108
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.396
local terms energy: -74.335987
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -21.456
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: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -196.267397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.267397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.267397 (E_RNA)
where:
Base-Base interactions energy: -132.597
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.055
local terms energy: -63.615319
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -7.766
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: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -193.022752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.022752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.022752 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -50.592
Base-Backbone interact. energy: -0.041
local terms energy: -69.650657
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -18.253
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: 311
Temperature: 1.050000
Total energy: -156.366873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.366873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.366873 (E_RNA)
where:
Base-Base interactions energy: -96.310
where: short stacking energy: -38.204
Base-Backbone interact. energy: 0.475
local terms energy: -60.531495
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -174.936014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.936014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.936014 (E_RNA)
where:
Base-Base interactions energy: -116.993
where: short stacking energy: -53.683
Base-Backbone interact. energy: -0.111
local terms energy: -57.831885
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -140.432632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.432632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.432632 (E_RNA)
where:
Base-Base interactions energy: -83.080
where: short stacking energy: -31.881
Base-Backbone interact. energy: -0.130
local terms energy: -57.223046
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -7.409
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: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -97.227741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.227741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.227741 (E_RNA)
where:
Base-Base interactions energy: -42.362
where: short stacking energy: -42.362
Base-Backbone interact. energy: -0.005
local terms energy: -54.860956
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -10.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -71.626670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.626670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.626670 (E_RNA)
where:
Base-Base interactions energy: -27.236
where: short stacking energy: -27.236
Base-Backbone interact. energy: -0.168
local terms energy: -44.222984
where:
bonds (distance) C4'-P energy: -9.352
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: -4.136
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: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -77.797427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.797427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.797427 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -21.632
Base-Backbone interact. energy: -0.033
local terms energy: -42.725796
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -81.350128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350128 (E_RNA)
where:
Base-Base interactions energy: -32.626
where: short stacking energy: -30.001
Base-Backbone interact. energy: -0.774
local terms energy: -47.950034
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -217.850520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.850520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.850520 (E_RNA)
where:
Base-Base interactions energy: -144.428
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.165
local terms energy: -73.257406
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -205.344541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344541 (E_RNA)
where:
Base-Base interactions energy: -138.530
where: short stacking energy: -61.138
Base-Backbone interact. energy: -0.156
local terms energy: -66.658480
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -198.611650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.611650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.611650 (E_RNA)
where:
Base-Base interactions energy: -123.535
where: short stacking energy: -51.352
Base-Backbone interact. energy: -0.005
local terms energy: -75.070991
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -169.032960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.032960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.032960 (E_RNA)
where:
Base-Base interactions energy: -100.712
where: short stacking energy: -44.665
Base-Backbone interact. energy: -0.000
local terms energy: -68.320351
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -14.329
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: 312
Temperature: 1.100000
Total energy: -165.006983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.006983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.006983 (E_RNA)
where:
Base-Base interactions energy: -101.360
where: short stacking energy: -44.270
Base-Backbone interact. energy: -0.001
local terms energy: -63.645697
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -11.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -141.897031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.897031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.897031 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -40.060
Base-Backbone interact. energy: 0.178
local terms energy: -49.282231
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -5.674
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -83.850293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.850293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.850293 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -23.398
Base-Backbone interact. energy: -0.114
local terms energy: -50.948584
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -85.211772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.211772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.211772 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.003
local terms energy: -49.893706
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -92.664975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.664975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.664975 (E_RNA)
where:
Base-Base interactions energy: -38.711
where: short stacking energy: -27.359
Base-Backbone interact. energy: -0.184
local terms energy: -53.770765
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -6.624
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -71.814354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.814354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.814354 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -15.952
Base-Backbone interact. energy: -0.015
local terms energy: -39.133342
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -2.502
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -213.910895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.910895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.910895 (E_RNA)
where:
Base-Base interactions energy: -144.775
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.125
local terms energy: -69.011321
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -203.763847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.763847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.763847 (E_RNA)
where:
Base-Base interactions energy: -130.320
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.001
local terms energy: -73.442987
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -199.197953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.197953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.197953 (E_RNA)
where:
Base-Base interactions energy: -130.921
where: short stacking energy: -58.931
Base-Backbone interact. energy: -0.292
local terms energy: -67.985379
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -154.127399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.127399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.127399 (E_RNA)
where:
Base-Base interactions energy: -97.206
where: short stacking energy: -39.085
Base-Backbone interact. energy: -0.144
local terms energy: -56.777471
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -7.469
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: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -159.644059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.644059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.644059 (E_RNA)
where:
Base-Base interactions energy: -97.035
where: short stacking energy: -39.139
Base-Backbone interact. energy: -0.029
local terms energy: -62.580335
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -144.667360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.667360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.667360 (E_RNA)
where:
Base-Base interactions energy: -80.488
where: short stacking energy: -42.502
Base-Backbone interact. energy: -0.451
local terms energy: -63.727942
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -104.601717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.601717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.601717 (E_RNA)
where:
Base-Base interactions energy: -54.836
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.085
local terms energy: -49.680547
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -87.841380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.841380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.841380 (E_RNA)
where:
Base-Base interactions energy: -32.659
where: short stacking energy: -32.617
Base-Backbone interact. energy: 0.313
local terms energy: -55.495248
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -10.698
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: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -89.299176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.299176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.299176 (E_RNA)
where:
Base-Base interactions energy: -39.089
where: short stacking energy: -24.264
Base-Backbone interact. energy: -0.097
local terms energy: -50.112748
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -8.333
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: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -83.140528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.140528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.140528 (E_RNA)
where:
Base-Base interactions energy: -31.684
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.049
local terms energy: -51.407298
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -1.326
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -196.233734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.233734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.233734 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.138
local terms energy: -71.075021
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -11.104
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: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -201.845683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.845683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.845683 (E_RNA)
where:
Base-Base interactions energy: -135.897
where: short stacking energy: -65.099
Base-Backbone interact. energy: -0.003
local terms energy: -65.946327
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -9.975
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: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -200.474436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.474436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.474436 (E_RNA)
where:
Base-Base interactions energy: -127.827
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.094
local terms energy: -72.554309
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -9.497
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: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -159.893341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.893341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.893341 (E_RNA)
where:
Base-Base interactions energy: -95.366
where: short stacking energy: -49.471
Base-Backbone interact. energy: -0.960
local terms energy: -63.567504
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -152.224617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.224617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.224617 (E_RNA)
where:
Base-Base interactions energy: -88.418
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.093
local terms energy: -63.714218
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.375
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: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -148.846128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.846128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.846128 (E_RNA)
where:
Base-Base interactions energy: -87.945
where: short stacking energy: -41.123
Base-Backbone interact. energy: -0.072
local terms energy: -60.829156
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -12.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -93.800173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.800173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.800173 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.051
local terms energy: -43.361321
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -1.903
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -92.708030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.708030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.708030 (E_RNA)
where:
Base-Base interactions energy: -57.558
where: short stacking energy: -24.100
Base-Backbone interact. energy: -0.427
local terms energy: -34.723042
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: 3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -74.072195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.072195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.072195 (E_RNA)
where:
Base-Base interactions energy: -20.531
where: short stacking energy: -17.475
Base-Backbone interact. energy: -0.035
local terms energy: -53.506395
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -72.195979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.195979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.195979 (E_RNA)
where:
Base-Base interactions energy: -24.361
where: short stacking energy: -24.121
Base-Backbone interact. energy: 1.343
local terms energy: -49.178433
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: 0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -213.861716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.861716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.861716 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -65.062
Base-Backbone interact. energy: -0.071
local terms energy: -74.991540
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -211.503496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.503496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.503496 (E_RNA)
where:
Base-Base interactions energy: -131.423
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.016
local terms energy: -80.064400
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -193.357134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.357134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.357134 (E_RNA)
where:
Base-Base interactions energy: -120.443
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.021
local terms energy: -72.893760
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -173.150302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.150302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.150302 (E_RNA)
where:
Base-Base interactions energy: -107.807
where: short stacking energy: -46.185
Base-Backbone interact. energy: 0.330
local terms energy: -65.672891
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -163.239514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.239514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.239514 (E_RNA)
where:
Base-Base interactions energy: -103.128
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.296
local terms energy: -59.815980
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -92.717054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.717054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.717054 (E_RNA)
where:
Base-Base interactions energy: -39.746
where: short stacking energy: -39.746
Base-Backbone interact. energy: -0.058
local terms energy: -52.913444
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -7.533
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: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -129.238481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.238481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.238481 (E_RNA)
where:
Base-Base interactions energy: -70.656
where: short stacking energy: -27.573
Base-Backbone interact. energy: -0.132
local terms energy: -58.450325
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -88.325575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.325575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.325575 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -36.235
Base-Backbone interact. energy: -0.261
local terms energy: -51.829851
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -9.114
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: 315
Temperature: 1.300000
Total energy: -69.755452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.755452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.755452 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -25.997
Base-Backbone interact. energy: 3.275
local terms energy: -46.717916
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -77.078136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078136 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -23.907
Base-Backbone interact. energy: 1.703
local terms energy: -48.777768
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -208.115335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.115335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.115335 (E_RNA)
where:
Base-Base interactions energy: -139.349
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.000
local terms energy: -68.765973
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -7.741
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -203.807107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.807107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.807107 (E_RNA)
where:
Base-Base interactions energy: -137.350
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.064
local terms energy: -66.392903
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -2.910
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -204.463642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.463642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.463642 (E_RNA)
where:
Base-Base interactions energy: -138.282
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.005
local terms energy: -66.176050
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -19.096
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -167.804216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.804216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.804216 (E_RNA)
where:
Base-Base interactions energy: -98.465
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.119
local terms energy: -69.219951
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -13.121
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -168.163706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.163706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.163706 (E_RNA)
where:
Base-Base interactions energy: -103.636
where: short stacking energy: -43.779
Base-Backbone interact. energy: -2.141
local terms energy: -62.386864
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -12.042
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: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -94.014082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.014082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.014082 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.211
local terms energy: -52.763694
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -8.837
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: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -132.491436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.491436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.491436 (E_RNA)
where:
Base-Base interactions energy: -76.080
where: short stacking energy: -36.026
Base-Backbone interact. energy: 2.266
local terms energy: -58.677235
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -71.405924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.405924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.405924 (E_RNA)
where:
Base-Base interactions energy: -27.786
where: short stacking energy: -20.132
Base-Backbone interact. energy: -0.242
local terms energy: -43.377644
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -6.715
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -4.492
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: 316
Temperature: 1.300000
Total energy: -74.651406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.651406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.651406 (E_RNA)
where:
Base-Base interactions energy: -23.761
where: short stacking energy: -23.633
Base-Backbone interact. energy: -0.236
local terms energy: -50.654805
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -66.899376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.899376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.899376 (E_RNA)
where:
Base-Base interactions energy: -37.467
where: short stacking energy: -14.874
Base-Backbone interact. energy: 0.524
local terms energy: -29.956881
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: 0.466
tors. eta vs tors. theta energy: 5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -206.013493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.013493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.013493 (E_RNA)
where:
Base-Base interactions energy: -132.032
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.101
local terms energy: -73.879845
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -181.913445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.913445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.913445 (E_RNA)
where:
Base-Base interactions energy: -111.358
where: short stacking energy: -51.002
Base-Backbone interact. energy: -0.491
local terms energy: -70.063980
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.573
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: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -201.613729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613729 (E_RNA)
where:
Base-Base interactions energy: -130.766
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.108
local terms energy: -70.740114
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -174.506460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.506460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.506460 (E_RNA)
where:
Base-Base interactions energy: -106.238
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.080
local terms energy: -68.188491
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -16.943
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: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -165.847230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.847230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.847230 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -45.487
Base-Backbone interact. energy: -0.214
local terms energy: -57.821931
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -121.171322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.171322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.171322 (E_RNA)
where:
Base-Base interactions energy: -64.035
where: short stacking energy: -43.183
Base-Backbone interact. energy: -1.061
local terms energy: -56.076087
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -91.779835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779835 (E_RNA)
where:
Base-Base interactions energy: -41.040
where: short stacking energy: -41.040
Base-Backbone interact. energy: -0.086
local terms energy: -50.653461
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -4.178
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: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -83.107961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.107961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.107961 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -36.433
Base-Backbone interact. energy: 2.541
local terms energy: -46.958429
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -3.042
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -74.143150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.143150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.143150 (E_RNA)
where:
Base-Base interactions energy: -20.145
where: short stacking energy: -19.372
Base-Backbone interact. energy: -0.011
local terms energy: -53.987415
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -71.835395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.835395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.835395 (E_RNA)
where:
Base-Base interactions energy: -24.627
where: short stacking energy: -24.627
Base-Backbone interact. energy: -0.073
local terms energy: -47.135793
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: 1.467
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: 318
Temperature: 0.900000
Total energy: -198.956647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.956647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.956647 (E_RNA)
where:
Base-Base interactions energy: -135.052
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.221
local terms energy: -63.683489
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -191.727397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.727397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.727397 (E_RNA)
where:
Base-Base interactions energy: -121.981
where: short stacking energy: -59.037
Base-Backbone interact. energy: -0.580
local terms energy: -69.165860
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -15.367
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: 318
Temperature: 1.000000
Total energy: -180.543431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.543431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.543431 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -50.236
Base-Backbone interact. energy: -0.155
local terms energy: -70.672116
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -186.412139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412139 (E_RNA)
where:
Base-Base interactions energy: -122.787
where: short stacking energy: -54.167
Base-Backbone interact. energy: 0.111
local terms energy: -63.735887
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -12.683
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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -150.242873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.242873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.242873 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -44.397
Base-Backbone interact. energy: -0.136
local terms energy: -59.485384
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -124.018802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.018802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.018802 (E_RNA)
where:
Base-Base interactions energy: -70.350
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.285
local terms energy: -53.383891
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -91.423561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423561 (E_RNA)
where:
Base-Base interactions energy: -36.366
where: short stacking energy: -37.866
Base-Backbone interact. energy: -0.888
local terms energy: -54.170055
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -86.358765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.358765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.358765 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -29.512
Base-Backbone interact. energy: 0.056
local terms energy: -51.591524
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -6.281
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: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -76.387654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.387654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.387654 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -33.610
Base-Backbone interact. energy: -0.081
local terms energy: -42.054655
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -7.409
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -65.095993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.095993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.095993 (E_RNA)
where:
Base-Base interactions energy: -18.942
where: short stacking energy: -14.865
Base-Backbone interact. energy: -0.138
local terms energy: -46.016085
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -206.647629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647629 (E_RNA)
where:
Base-Base interactions energy: -132.183
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.240
local terms energy: -74.224699
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -20.310
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: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -180.903762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.903762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.903762 (E_RNA)
where:
Base-Base interactions energy: -112.300
where: short stacking energy: -53.940
Base-Backbone interact. energy: 0.603
local terms energy: -69.207087
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.605
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: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -195.996363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.996363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.996363 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -62.319
Base-Backbone interact. energy: 0.497
local terms energy: -67.595547
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -188.018699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.018699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.018699 (E_RNA)
where:
Base-Base interactions energy: -118.754
where: short stacking energy: -57.812
Base-Backbone interact. energy: 0.031
local terms energy: -69.295230
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -168.247746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.247746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.247746 (E_RNA)
where:
Base-Base interactions energy: -105.098
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.005
local terms energy: -63.144046
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -129.911817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.911817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.911817 (E_RNA)
where:
Base-Base interactions energy: -70.540
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.030
local terms energy: -59.341281
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -96.066790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066790 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.003
local terms energy: -54.228318
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -76.673131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.673131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.673131 (E_RNA)
where:
Base-Base interactions energy: -25.015
where: short stacking energy: -25.015
Base-Backbone interact. energy: -0.847
local terms energy: -50.811927
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -81.810408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.810408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.810408 (E_RNA)
where:
Base-Base interactions energy: -40.990
where: short stacking energy: -24.745
Base-Backbone interact. energy: -0.218
local terms energy: -40.602762
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -4.957
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: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -70.733847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.733847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.733847 (E_RNA)
where:
Base-Base interactions energy: -24.286
where: short stacking energy: -19.992
Base-Backbone interact. energy: -0.181
local terms energy: -46.266702
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -209.810175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.810175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.810175 (E_RNA)
where:
Base-Base interactions energy: -133.244
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.242
local terms energy: -76.324252
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -183.582340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.582340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.582340 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -54.804
Base-Backbone interact. energy: 0.139
local terms energy: -69.754442
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.216
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: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -190.729007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.729007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.729007 (E_RNA)
where:
Base-Base interactions energy: -123.549
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.004
local terms energy: -67.175989
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -194.519280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.519280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.519280 (E_RNA)
where:
Base-Base interactions energy: -128.134
where: short stacking energy: -51.654
Base-Backbone interact. energy: -0.025
local terms energy: -66.359773
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -7.442
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: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -157.462994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.462994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.462994 (E_RNA)
where:
Base-Base interactions energy: -93.953
where: short stacking energy: -43.760
Base-Backbone interact. energy: -0.110
local terms energy: -63.399799
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -147.575129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.575129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.575129 (E_RNA)
where:
Base-Base interactions energy: -88.018
where: short stacking energy: -44.551
Base-Backbone interact. energy: -0.733
local terms energy: -58.823797
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -82.602311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.602311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.602311 (E_RNA)
where:
Base-Base interactions energy: -35.006
where: short stacking energy: -33.594
Base-Backbone interact. energy: -0.138
local terms energy: -47.458984
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -7.145
flat angles P-C4'-P energy: -7.207
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: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -81.232839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.232839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.232839 (E_RNA)
where:
Base-Base interactions energy: -29.395
where: short stacking energy: -29.395
Base-Backbone interact. energy: -0.088
local terms energy: -51.750236
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -6.982
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: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -87.372583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372583 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -20.966
Base-Backbone interact. energy: -0.094
local terms energy: -54.129739
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -73.711764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.711764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.711764 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.021
local terms energy: -40.783931
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -197.115021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.115021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.115021 (E_RNA)
where:
Base-Base interactions energy: -119.562
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.109
local terms energy: -77.443632
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -203.487357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487357 (E_RNA)
where:
Base-Base interactions energy: -131.609
where: short stacking energy: -63.910
Base-Backbone interact. energy: 0.178
local terms energy: -72.056174
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -7.428
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: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -183.436242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.436242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.436242 (E_RNA)
where:
Base-Base interactions energy: -122.161
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.014
local terms energy: -61.260879
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -194.716077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.716077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.716077 (E_RNA)
where:
Base-Base interactions energy: -130.314
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.179
local terms energy: -64.223086
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -163.964281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.964281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.964281 (E_RNA)
where:
Base-Base interactions energy: -106.819
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.273
local terms energy: -56.873220
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -9.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -176.090040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.090040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.090040 (E_RNA)
where:
Base-Base interactions energy: -109.348
where: short stacking energy: -47.569
Base-Backbone interact. energy: -0.414
local terms energy: -66.327746
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -89.825375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.825375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.825375 (E_RNA)
where:
Base-Base interactions energy: -36.998
where: short stacking energy: -33.042
Base-Backbone interact. energy: -0.127
local terms energy: -52.700872
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -77.542167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542167 (E_RNA)
where:
Base-Base interactions energy: -20.997
where: short stacking energy: -20.997
Base-Backbone interact. energy: -0.177
local terms energy: -56.367673
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -1.492
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: 321
Temperature: 1.300000
Total energy: -80.685393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.685393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.685393 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -13.195
Base-Backbone interact. energy: -1.314
local terms energy: -40.124125
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -0.538
tors. eta vs tors. theta energy: 1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -82.225501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.225501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.225501 (E_RNA)
where:
Base-Base interactions energy: -30.127
where: short stacking energy: -24.559
Base-Backbone interact. energy: -0.071
local terms energy: -52.027198
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -7.865
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: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -208.242460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.242460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.242460 (E_RNA)
where:
Base-Base interactions energy: -136.044
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.108
local terms energy: -72.090274
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -194.395551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.395551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.395551 (E_RNA)
where:
Base-Base interactions energy: -129.003
where: short stacking energy: -63.076
Base-Backbone interact. energy: -0.084
local terms energy: -65.309008
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -18.396
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: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -180.873906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.873906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.873906 (E_RNA)
where:
Base-Base interactions energy: -111.874
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.027
local terms energy: -68.972893
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -15.271
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -174.373267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.373267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.373267 (E_RNA)
where:
Base-Base interactions energy: -105.167
where: short stacking energy: -50.637
Base-Backbone interact. energy: -0.002
local terms energy: -69.204621
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -9.246
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: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -182.279825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.279825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.279825 (E_RNA)
where:
Base-Base interactions energy: -118.475
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.001
local terms energy: -63.803681
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -153.549793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.549793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.549793 (E_RNA)
where:
Base-Base interactions energy: -97.996
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.304
local terms energy: -55.249932
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -9.737
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: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -112.592338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.592338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.592338 (E_RNA)
where:
Base-Base interactions energy: -53.913
where: short stacking energy: -39.788
Base-Backbone interact. energy: -0.157
local terms energy: -58.522351
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -16.066
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: 322
Temperature: 1.250000
Total energy: -80.796136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.796136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.796136 (E_RNA)
where:
Base-Base interactions energy: -35.736
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.172
local terms energy: -44.888099
where:
bonds (distance) C4'-P energy: -8.309
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -76.836417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.836417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.836417 (E_RNA)
where:
Base-Base interactions energy: -22.913
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.266
local terms energy: -53.656988
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.051
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: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -76.343975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.343975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.343975 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -20.404
Base-Backbone interact. energy: 0.293
local terms energy: -45.502389
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -2.572
tors. eta vs tors. theta energy: -5.970
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: 323
Temperature: 0.900000
Total energy: -214.299068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.299068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.299068 (E_RNA)
where:
Base-Base interactions energy: -135.711
where: short stacking energy: -56.853
Base-Backbone interact. energy: -0.161
local terms energy: -78.426659
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -188.442567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.442567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.442567 (E_RNA)
where:
Base-Base interactions energy: -117.922
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.076
local terms energy: -70.444226
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -180.432580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.432580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.432580 (E_RNA)
where:
Base-Base interactions energy: -109.373
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.259
local terms energy: -70.800979
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -198.146997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.146997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.146997 (E_RNA)
where:
Base-Base interactions energy: -135.770
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.043
local terms energy: -62.334198
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -1.763
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: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -156.250080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.250080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.250080 (E_RNA)
where:
Base-Base interactions energy: -96.253
where: short stacking energy: -46.638
Base-Backbone interact. energy: 2.379
local terms energy: -62.375191
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -102.893087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.893087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.893087 (E_RNA)
where:
Base-Base interactions energy: -47.751
where: short stacking energy: -21.601
Base-Backbone interact. energy: -0.215
local terms energy: -54.927221
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -85.587762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587762 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -20.972
Base-Backbone interact. energy: -0.286
local terms energy: -49.956067
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -3.116
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: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -79.196254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.196254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.196254 (E_RNA)
where:
Base-Base interactions energy: -26.038
where: short stacking energy: -26.038
Base-Backbone interact. energy: -0.180
local terms energy: -52.978246
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -4.062
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: 323
Temperature: 1.300000
Total energy: -84.033678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.033678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.033678 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -31.290
Base-Backbone interact. energy: -0.090
local terms energy: -48.468166
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -70.020178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.020178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.020178 (E_RNA)
where:
Base-Base interactions energy: -24.008
where: short stacking energy: -18.574
Base-Backbone interact. energy: -0.642
local terms energy: -45.370251
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.755
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: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -212.301840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.301840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.301840 (E_RNA)
where:
Base-Base interactions energy: -136.265
where: short stacking energy: -61.218
Base-Backbone interact. energy: -0.001
local terms energy: -76.035490
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -19.455
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -194.765576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.765576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.765576 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -60.036
Base-Backbone interact. energy: -1.023
local terms energy: -72.166189
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -199.466962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.466962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.466962 (E_RNA)
where:
Base-Base interactions energy: -133.794
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.191
local terms energy: -65.481934
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -167.678657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.678657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.678657 (E_RNA)
where:
Base-Base interactions energy: -96.741
where: short stacking energy: -48.146
Base-Backbone interact. energy: -0.010
local terms energy: -70.928054
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -175.583760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.583760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.583760 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -47.561
Base-Backbone interact. energy: -0.191
local terms energy: -58.208343
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -12.196
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: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -94.394697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.394697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.394697 (E_RNA)
where:
Base-Base interactions energy: -35.837
where: short stacking energy: -35.837
Base-Backbone interact. energy: 0.143
local terms energy: -58.700745
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -8.501
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: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -79.512217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512217 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -18.675
Base-Backbone interact. energy: 0.080
local terms energy: -45.728830
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -1.425
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -88.044256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.044256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.044256 (E_RNA)
where:
Base-Base interactions energy: -42.301
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.038
local terms energy: -45.705310
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -90.621156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.621156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.621156 (E_RNA)
where:
Base-Base interactions energy: -39.722
where: short stacking energy: -30.637
Base-Backbone interact. energy: -0.012
local terms energy: -50.887458
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -4.999
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: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -69.689619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.689619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.689619 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -21.339
Base-Backbone interact. energy: -0.127
local terms energy: -38.526698
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: 2.066
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: 325
Temperature: 0.900000
Total energy: -206.965019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.965019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.965019 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.529
local terms energy: -71.716779
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -197.487491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.487491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.487491 (E_RNA)
where:
Base-Base interactions energy: -128.941
where: short stacking energy: -58.956
Base-Backbone interact. energy: -0.001
local terms energy: -68.546273
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -197.324989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.324989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.324989 (E_RNA)
where:
Base-Base interactions energy: -126.076
where: short stacking energy: -56.189
Base-Backbone interact. energy: -0.015
local terms energy: -71.234035
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -166.455708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.455708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.455708 (E_RNA)
where:
Base-Base interactions energy: -106.444
where: short stacking energy: -53.284
Base-Backbone interact. energy: -0.883
local terms energy: -59.128787
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -13.402
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: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -165.884513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.884513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.884513 (E_RNA)
where:
Base-Base interactions energy: -105.942
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.186
local terms energy: -59.756641
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -14.872
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: 325
Temperature: 1.150000
Total energy: -107.899698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.899698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.899698 (E_RNA)
where:
Base-Base interactions energy: -43.805
where: short stacking energy: -43.521
Base-Backbone interact. energy: -0.074
local terms energy: -64.020294
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -8.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -92.537497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.537497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.537497 (E_RNA)
where:
Base-Base interactions energy: -38.801
where: short stacking energy: -32.414
Base-Backbone interact. energy: -0.369
local terms energy: -53.367638
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -8.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -82.075091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.075091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.075091 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -20.129
Base-Backbone interact. energy: -0.126
local terms energy: -52.352860
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -0.359
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: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -79.822020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822020 (E_RNA)
where:
Base-Base interactions energy: -27.979
where: short stacking energy: -21.486
Base-Backbone interact. energy: -0.376
local terms energy: -51.466795
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.837
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: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -80.330677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.330677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.330677 (E_RNA)
where:
Base-Base interactions energy: -36.750
where: short stacking energy: -31.007
Base-Backbone interact. energy: -0.202
local terms energy: -43.379039
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -5.076
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: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -199.167318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.167318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.167318 (E_RNA)
where:
Base-Base interactions energy: -133.275
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.001
local terms energy: -65.891487
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -191.537800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.537800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.537800 (E_RNA)
where:
Base-Base interactions energy: -122.775
where: short stacking energy: -54.222
Base-Backbone interact. energy: 0.316
local terms energy: -69.078783
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -18.376
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: 326
Temperature: 1.000000
Total energy: -158.782914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.782914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.782914 (E_RNA)
where:
Base-Base interactions energy: -97.132
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.003
local terms energy: -61.647793
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -186.427552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.427552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.427552 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -57.154
Base-Backbone interact. energy: -0.035
local terms energy: -64.081723
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.945
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: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -151.964265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.964265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.964265 (E_RNA)
where:
Base-Base interactions energy: -95.650
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.432
local terms energy: -55.881446
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.225
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: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -97.011691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.011691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.011691 (E_RNA)
where:
Base-Base interactions energy: -46.253
where: short stacking energy: -20.055
Base-Backbone interact. energy: -0.189
local terms energy: -50.569424
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -0.029
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -100.439873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.439873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.439873 (E_RNA)
where:
Base-Base interactions energy: -46.272
where: short stacking energy: -19.183
Base-Backbone interact. energy: -1.443
local terms energy: -52.724821
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -91.850541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.850541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.850541 (E_RNA)
where:
Base-Base interactions energy: -58.890
where: short stacking energy: -35.072
Base-Backbone interact. energy: -0.343
local terms energy: -32.616569
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -8.980
flat angles C4'-P-C4' energy: -6.115
flat angles P-C4'-P energy: -3.940
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: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -89.763976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.763976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.763976 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -32.001
Base-Backbone interact. energy: -0.002
local terms energy: -50.915473
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -8.392
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -13.089
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: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -73.550265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.550265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.550265 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -18.800
Base-Backbone interact. energy: 0.056
local terms energy: -44.026784
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.591
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: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -198.719972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.719972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.719972 (E_RNA)
where:
Base-Base interactions energy: -129.497
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.014
local terms energy: -69.209259
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -191.504223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504223 (E_RNA)
where:
Base-Base interactions energy: -128.889
where: short stacking energy: -64.486
Base-Backbone interact. energy: -0.011
local terms energy: -62.604460
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -5.501
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: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -158.095530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.095530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.095530 (E_RNA)
where:
Base-Base interactions energy: -102.972
where: short stacking energy: -40.887
Base-Backbone interact. energy: -0.101
local terms energy: -55.023342
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -183.514215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.514215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.514215 (E_RNA)
where:
Base-Base interactions energy: -112.550
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.002
local terms energy: -70.962415
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -17.573
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -148.852310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.852310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.852310 (E_RNA)
where:
Base-Base interactions energy: -96.111
where: short stacking energy: -29.616
Base-Backbone interact. energy: -0.325
local terms energy: -52.416384
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -5.762
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: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -97.468629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.468629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.468629 (E_RNA)
where:
Base-Base interactions energy: -60.879
where: short stacking energy: -15.729
Base-Backbone interact. energy: -0.130
local terms energy: -36.459447
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: 2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -102.198725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.198725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.198725 (E_RNA)
where:
Base-Base interactions energy: -61.669
where: short stacking energy: -40.112
Base-Backbone interact. energy: -0.197
local terms energy: -40.332408
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -5.913
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: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -78.738187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.738187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.738187 (E_RNA)
where:
Base-Base interactions energy: -34.492
where: short stacking energy: -34.492
Base-Backbone interact. energy: -0.084
local terms energy: -44.162351
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -7.882
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -9.319
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: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -82.030724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030724 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.318
local terms energy: -44.377091
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -1.363
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -75.575729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.575729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.575729 (E_RNA)
where:
Base-Base interactions energy: -23.753
where: short stacking energy: -19.877
Base-Backbone interact. energy: -0.183
local terms energy: -51.639507
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -197.166049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.166049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.166049 (E_RNA)
where:
Base-Base interactions energy: -127.549
where: short stacking energy: -56.559
Base-Backbone interact. energy: -0.003
local terms energy: -69.613941
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -188.538967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.538967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.538967 (E_RNA)
where:
Base-Base interactions energy: -121.476
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.071
local terms energy: -66.992053
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -187.348251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.348251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.348251 (E_RNA)
where:
Base-Base interactions energy: -122.765
where: short stacking energy: -56.586
Base-Backbone interact. energy: -0.002
local terms energy: -64.581418
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -153.383028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.383028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.383028 (E_RNA)
where:
Base-Base interactions energy: -98.599
where: short stacking energy: -35.244
Base-Backbone interact. energy: -0.115
local terms energy: -54.668804
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -155.326680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.326680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.326680 (E_RNA)
where:
Base-Base interactions energy: -96.707
where: short stacking energy: -42.810
Base-Backbone interact. energy: 0.110
local terms energy: -58.729789
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -128.086265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.086265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.086265 (E_RNA)
where:
Base-Base interactions energy: -69.031
where: short stacking energy: -37.984
Base-Backbone interact. energy: -0.181
local terms energy: -58.874603
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -8.886
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: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -79.554453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.554453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.554453 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -20.179
Base-Backbone interact. energy: -0.063
local terms energy: -45.194350
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -4.088
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: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -91.520230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.520230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.520230 (E_RNA)
where:
Base-Base interactions energy: -48.568
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.038
local terms energy: -42.914877
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -4.086
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: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -79.725871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.725871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.725871 (E_RNA)
where:
Base-Base interactions energy: -28.391
where: short stacking energy: -12.898
Base-Backbone interact. energy: -1.358
local terms energy: -49.976646
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -0.358
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: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -74.286198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.286198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.286198 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.232
local terms energy: -44.564239
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -212.690421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.690421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.690421 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.002
local terms energy: -76.330812
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.839
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: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -194.655116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.655116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655116 (E_RNA)
where:
Base-Base interactions energy: -132.097
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.147
local terms energy: -62.411237
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -190.269586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.269586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.269586 (E_RNA)
where:
Base-Base interactions energy: -122.089
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.002
local terms energy: -68.178512
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -166.289183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.289183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.289183 (E_RNA)
where:
Base-Base interactions energy: -112.930
where: short stacking energy: -42.942
Base-Backbone interact. energy: -0.141
local terms energy: -53.218348
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -8.295
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -145.458828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.458828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.458828 (E_RNA)
where:
Base-Base interactions energy: -88.515
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.557
local terms energy: -56.387250
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -84.937617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.937617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.937617 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -22.075
Base-Backbone interact. energy: -0.366
local terms energy: -35.237761
where:
bonds (distance) C4'-P energy: -6.801
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: 4.278
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -129.775223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.775223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.775223 (E_RNA)
where:
Base-Base interactions energy: -76.983
where: short stacking energy: -22.697
Base-Backbone interact. energy: -0.184
local terms energy: -52.608432
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -6.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -70.476943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.476943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.476943 (E_RNA)
where:
Base-Base interactions energy: -24.245
where: short stacking energy: -17.289
Base-Backbone interact. energy: -0.086
local terms energy: -46.146262
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -80.560390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.560390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.560390 (E_RNA)
where:
Base-Base interactions energy: -31.206
where: short stacking energy: -17.835
Base-Backbone interact. energy: -0.514
local terms energy: -48.841143
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -80.999758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.999758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.999758 (E_RNA)
where:
Base-Base interactions energy: -29.932
where: short stacking energy: -28.321
Base-Backbone interact. energy: -0.071
local terms energy: -50.997492
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -211.790891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.790891 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.031
local terms energy: -70.469702
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -21.860
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -198.149625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.149625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.149625 (E_RNA)
where:
Base-Base interactions energy: -126.427
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.010
local terms energy: -71.712891
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -17.193
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: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -194.135393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.135393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.135393 (E_RNA)
where:
Base-Base interactions energy: -131.583
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.011
local terms energy: -62.541700
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -10.555
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: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -156.502747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.502747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.502747 (E_RNA)
where:
Base-Base interactions energy: -97.063
where: short stacking energy: -34.729
Base-Backbone interact. energy: -0.125
local terms energy: -59.315112
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -7.350
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: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -132.239367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.239367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.239367 (E_RNA)
where:
Base-Base interactions energy: -77.923
where: short stacking energy: -34.374
Base-Backbone interact. energy: 1.412
local terms energy: -55.728773
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -9.636
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: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -160.288742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.288742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.288742 (E_RNA)
where:
Base-Base interactions energy: -94.275
where: short stacking energy: -41.813
Base-Backbone interact. energy: -0.060
local terms energy: -65.953198
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.181
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -123.395064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.395064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.395064 (E_RNA)
where:
Base-Base interactions energy: -77.152
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.119
local terms energy: -46.124154
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -4.993
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -76.263534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.263534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.263534 (E_RNA)
where:
Base-Base interactions energy: -26.170
where: short stacking energy: -26.170
Base-Backbone interact. energy: -0.157
local terms energy: -49.936027
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -71.385091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.385091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.385091 (E_RNA)
where:
Base-Base interactions energy: -23.327
where: short stacking energy: -21.165
Base-Backbone interact. energy: -0.234
local terms energy: -47.823190
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -69.933468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.933468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.933468 (E_RNA)
where:
Base-Base interactions energy: -25.162
where: short stacking energy: -18.864
Base-Backbone interact. energy: -0.326
local terms energy: -44.444866
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: 1.154
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: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -209.563486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563486 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.087
local terms energy: -70.188576
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -9.445
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -194.587255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587255 (E_RNA)
where:
Base-Base interactions energy: -125.757
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.001
local terms energy: -68.828711
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -18.017
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: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -192.364648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.364648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.364648 (E_RNA)
where:
Base-Base interactions energy: -127.153
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.037
local terms energy: -65.174713
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -4.226
tors. eta vs tors. theta energy: -16.273
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: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -168.494088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.494088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.494088 (E_RNA)
where:
Base-Base interactions energy: -101.851
where: short stacking energy: -47.060
Base-Backbone interact. energy: -0.061
local terms energy: -66.582687
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -147.707334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.707334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.707334 (E_RNA)
where:
Base-Base interactions energy: -92.482
where: short stacking energy: -41.117
Base-Backbone interact. energy: 0.639
local terms energy: -55.864683
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.397
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: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -117.206443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.206443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.206443 (E_RNA)
where:
Base-Base interactions energy: -58.443
where: short stacking energy: -30.734
Base-Backbone interact. energy: 0.091
local terms energy: -58.853753
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -146.443671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.443671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.443671 (E_RNA)
where:
Base-Base interactions energy: -91.022
where: short stacking energy: -33.743
Base-Backbone interact. energy: -0.184
local terms energy: -55.237179
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -84.164127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164127 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.322
local terms energy: -50.263010
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -75.879756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.879756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.879756 (E_RNA)
where:
Base-Base interactions energy: -23.751
where: short stacking energy: -13.248
Base-Backbone interact. energy: -0.057
local terms energy: -52.071588
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -5.105
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: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -74.906117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.906117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.906117 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -24.700
Base-Backbone interact. energy: -0.305
local terms energy: -49.900930
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -196.664429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.664429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.664429 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -49.966
Base-Backbone interact. energy: -0.020
local terms energy: -60.163497
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -1.562
tors. eta vs tors. theta energy: -14.896
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: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -213.078061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.078061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.078061 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.082
local terms energy: -72.911076
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -150.182188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.182188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.182188 (E_RNA)
where:
Base-Base interactions energy: -89.320
where: short stacking energy: -41.152
Base-Backbone interact. energy: -0.190
local terms energy: -60.671761
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -179.674070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.674070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.674070 (E_RNA)
where:
Base-Base interactions energy: -110.322
where: short stacking energy: -54.489
Base-Backbone interact. energy: -0.099
local terms energy: -69.253587
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -149.759801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.759801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.759801 (E_RNA)
where:
Base-Base interactions energy: -100.588
where: short stacking energy: -46.080
Base-Backbone interact. energy: 2.095
local terms energy: -51.266799
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -9.003
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -8.775
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -118.339850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.339850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.339850 (E_RNA)
where:
Base-Base interactions energy: -66.415
where: short stacking energy: -23.982
Base-Backbone interact. energy: -0.870
local terms energy: -51.054694
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -96.248222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.248222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.248222 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.027
local terms energy: -59.121049
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -8.505
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -78.061140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.061140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.061140 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.132
local terms energy: -50.219302
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -7.684
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: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -71.972040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.972040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.972040 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -29.630
Base-Backbone interact. energy: -0.313
local terms energy: -38.275739
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -2.445
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: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -79.919844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.919844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.919844 (E_RNA)
where:
Base-Base interactions energy: -26.379
where: short stacking energy: -14.192
Base-Backbone interact. energy: -0.092
local terms energy: -53.449095
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -203.978063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.978063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.978063 (E_RNA)
where:
Base-Base interactions energy: -137.802
where: short stacking energy: -53.432
Base-Backbone interact. energy: -0.175
local terms energy: -66.001200
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -14.551
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: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -202.110915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.110915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.110915 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -56.496
Base-Backbone interact. energy: -0.099
local terms energy: -69.140344
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -132.799391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.799391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.799391 (E_RNA)
where:
Base-Base interactions energy: -73.495
where: short stacking energy: -36.062
Base-Backbone interact. energy: -0.095
local terms energy: -59.209759
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -9.149
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: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -190.886333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.886333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.886333 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -57.677
Base-Backbone interact. energy: -0.001
local terms energy: -62.397120
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -16.877
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: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -151.660623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.660623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.660623 (E_RNA)
where:
Base-Base interactions energy: -90.306
where: short stacking energy: -41.667
Base-Backbone interact. energy: -0.213
local terms energy: -61.141110
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -113.135625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.135625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.135625 (E_RNA)
where:
Base-Base interactions energy: -63.427
where: short stacking energy: -32.068
Base-Backbone interact. energy: 0.030
local terms energy: -49.739311
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -93.094204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.094204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.094204 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -20.119
Base-Backbone interact. energy: -0.226
local terms energy: -46.868922
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -86.301235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.301235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.301235 (E_RNA)
where:
Base-Base interactions energy: -29.405
where: short stacking energy: -29.405
Base-Backbone interact. energy: -0.214
local terms energy: -56.682306
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -76.807482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.807482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.807482 (E_RNA)
where:
Base-Base interactions energy: -34.688
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.073
local terms energy: -42.045822
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -72.860067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.860067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.860067 (E_RNA)
where:
Base-Base interactions energy: -31.247
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.140
local terms energy: -41.473080
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -6.684
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: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -204.544045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.544045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.544045 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.001
local terms energy: -72.571693
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -18.669
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: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -211.000534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.000534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.000534 (E_RNA)
where:
Base-Base interactions energy: -138.137
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.001
local terms energy: -72.862520
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -18.519
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: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -196.328839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.328839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.328839 (E_RNA)
where:
Base-Base interactions energy: -128.544
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.239
local terms energy: -67.546253
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.680
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: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -138.720987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.720987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.720987 (E_RNA)
where:
Base-Base interactions energy: -84.472
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.132
local terms energy: -54.116335
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -6.898
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: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -140.413467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.413467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.413467 (E_RNA)
where:
Base-Base interactions energy: -80.295
where: short stacking energy: -31.933
Base-Backbone interact. energy: -0.709
local terms energy: -59.410072
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -6.898
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: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -107.148076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.148076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.148076 (E_RNA)
where:
Base-Base interactions energy: -74.745
where: short stacking energy: -31.209
Base-Backbone interact. energy: -0.103
local terms energy: -32.300321
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -6.508
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: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -91.104477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.104477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.104477 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -37.057
Base-Backbone interact. energy: -0.004
local terms energy: -54.044023
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -86.033694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.033694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.033694 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.071
local terms energy: -48.649619
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.103
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: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -75.197657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.197657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.197657 (E_RNA)
where:
Base-Base interactions energy: -24.055
where: short stacking energy: -24.055
Base-Backbone interact. energy: -0.149
local terms energy: -50.993415
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -8.853
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -73.377083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.377083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.377083 (E_RNA)
where:
Base-Base interactions energy: -22.834
where: short stacking energy: -18.447
Base-Backbone interact. energy: -0.251
local terms energy: -50.292121
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -195.094269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094269 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.101
local terms energy: -74.942742
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -206.463660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.463660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.463660 (E_RNA)
where:
Base-Base interactions energy: -138.781
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.003
local terms energy: -67.679600
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.231
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -177.304828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.304828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.304828 (E_RNA)
where:
Base-Base interactions energy: -116.260
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.209
local terms energy: -60.836177
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -131.397199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.397199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.397199 (E_RNA)
where:
Base-Base interactions energy: -73.074
where: short stacking energy: -37.087
Base-Backbone interact. energy: -0.109
local terms energy: -58.214225
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -115.660640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.660640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.660640 (E_RNA)
where:
Base-Base interactions energy: -67.051
where: short stacking energy: -33.114
Base-Backbone interact. energy: -0.235
local terms energy: -48.374660
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -92.931928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931928 (E_RNA)
where:
Base-Base interactions energy: -39.734
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.374
local terms energy: -52.823823
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -91.616337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616337 (E_RNA)
where:
Base-Base interactions energy: -41.387
where: short stacking energy: -19.994
Base-Backbone interact. energy: -1.309
local terms energy: -48.920325
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -80.400205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.400205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.400205 (E_RNA)
where:
Base-Base interactions energy: -33.654
where: short stacking energy: -24.931
Base-Backbone interact. energy: -0.302
local terms energy: -46.444117
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: 0.538
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: 335
Temperature: 1.300000
Total energy: -92.444326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.444326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.444326 (E_RNA)
where:
Base-Base interactions energy: -44.649
where: short stacking energy: -31.176
Base-Backbone interact. energy: -0.085
local terms energy: -47.710372
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -65.659718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.659718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.659718 (E_RNA)
where:
Base-Base interactions energy: -19.402
where: short stacking energy: -19.324
Base-Backbone interact. energy: -0.740
local terms energy: -45.517814
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -2.236
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: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -202.359996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.359996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.359996 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.081
local terms energy: -68.620585
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -6.586
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: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -203.473638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.473638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.473638 (E_RNA)
where:
Base-Base interactions energy: -134.062
where: short stacking energy: -65.277
Base-Backbone interact. energy: 0.128
local terms energy: -69.538843
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -19.048
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: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -154.808616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.808616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.808616 (E_RNA)
where:
Base-Base interactions energy: -92.973
where: short stacking energy: -49.273
Base-Backbone interact. energy: -0.013
local terms energy: -61.822813
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -143.187122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.187122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.187122 (E_RNA)
where:
Base-Base interactions energy: -82.322
where: short stacking energy: -48.450
Base-Backbone interact. energy: -0.002
local terms energy: -60.863895
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -97.223746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.223746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.223746 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.101
local terms energy: -55.858613
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -8.935
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -88.737311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.737311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.737311 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.105
local terms energy: -55.906583
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -10.055
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: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -86.937627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.937627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.937627 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.251
local terms energy: -46.669411
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -4.587
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: 336
Temperature: 1.250000
Total energy: -85.113315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.113315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.113315 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.106
local terms energy: -50.827421
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -92.266574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.266574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.266574 (E_RNA)
where:
Base-Base interactions energy: -54.310
where: short stacking energy: -29.468
Base-Backbone interact. energy: -0.051
local terms energy: -37.904695
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: 1.259
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: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -67.719972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.719972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.719972 (E_RNA)
where:
Base-Base interactions energy: -26.279
where: short stacking energy: -23.859
Base-Backbone interact. energy: 0.276
local terms energy: -41.717506
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -202.136989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.136989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.136989 (E_RNA)
where:
Base-Base interactions energy: -138.928
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.002
local terms energy: -63.206883
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -7.766
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -163.715465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.715465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.715465 (E_RNA)
where:
Base-Base interactions energy: -97.636
where: short stacking energy: -52.575
Base-Backbone interact. energy: 1.206
local terms energy: -67.285111
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -199.477066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.477066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.477066 (E_RNA)
where:
Base-Base interactions energy: -132.474
where: short stacking energy: -60.648
Base-Backbone interact. energy: -1.300
local terms energy: -65.703023
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -9.505
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: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -135.798381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.798381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.798381 (E_RNA)
where:
Base-Base interactions energy: -75.305
where: short stacking energy: -48.757
Base-Backbone interact. energy: -0.183
local terms energy: -60.310044
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -89.072664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.072664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.072664 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.432
local terms energy: -52.852792
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -1.616
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: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -90.296749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.296749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.296749 (E_RNA)
where:
Base-Base interactions energy: -48.290
where: short stacking energy: -29.668
Base-Backbone interact. energy: -0.178
local terms energy: -41.827974
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -106.040095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.040095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.040095 (E_RNA)
where:
Base-Base interactions energy: -55.293
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.108
local terms energy: -50.639511
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -5.741
flat angles P-C4'-P energy: -11.604
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -78.411143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.411143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.411143 (E_RNA)
where:
Base-Base interactions energy: -26.890
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.224
local terms energy: -51.296849
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -72.455064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.455064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.455064 (E_RNA)
where:
Base-Base interactions energy: -28.298
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.211
local terms energy: -43.945845
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -74.324614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.324614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.324614 (E_RNA)
where:
Base-Base interactions energy: -18.588
where: short stacking energy: -14.327
Base-Backbone interact. energy: -0.336
local terms energy: -55.401122
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -176.513223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.513223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.513223 (E_RNA)
where:
Base-Base interactions energy: -112.760
where: short stacking energy: -59.343
Base-Backbone interact. energy: 0.333
local terms energy: -64.086210
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -205.885438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.885438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.885438 (E_RNA)
where:
Base-Base interactions energy: -133.507
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.002
local terms energy: -72.376991
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -18.804
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: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -194.828478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.828478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.828478 (E_RNA)
where:
Base-Base interactions energy: -129.176
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.013
local terms energy: -65.639209
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -13.316
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -146.469869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.469869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.469869 (E_RNA)
where:
Base-Base interactions energy: -88.149
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.108
local terms energy: -58.213567
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -12.855
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: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -98.132250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.132250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.132250 (E_RNA)
where:
Base-Base interactions energy: -40.852
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.022
local terms energy: -57.258928
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -7.819
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: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -95.744162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.744162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.744162 (E_RNA)
where:
Base-Base interactions energy: -34.283
where: short stacking energy: -34.283
Base-Backbone interact. energy: 0.096
local terms energy: -61.556555
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -85.512620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.512620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.512620 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.038
local terms energy: -52.381215
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -12.209
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -100.221038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.221038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.221038 (E_RNA)
where:
Base-Base interactions energy: -57.933
where: short stacking energy: -27.832
Base-Backbone interact. energy: -0.322
local terms energy: -41.966396
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -4.711
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: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -72.663885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.663885 (E_RNA)
where:
Base-Base interactions energy: -30.625
where: short stacking energy: -24.921
Base-Backbone interact. energy: -0.350
local terms energy: -41.689267
where:
bonds (distance) C4'-P energy: -4.644
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -7.817
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: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -95.603346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.603346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.603346 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -19.277
Base-Backbone interact. energy: -0.632
local terms energy: -52.274652
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -2.544
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: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -190.695422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.695422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.695422 (E_RNA)
where:
Base-Base interactions energy: -114.405
where: short stacking energy: -51.371
Base-Backbone interact. energy: -0.110
local terms energy: -76.180649
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -205.593529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.593529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.593529 (E_RNA)
where:
Base-Base interactions energy: -132.088
where: short stacking energy: -68.549
Base-Backbone interact. energy: -0.001
local terms energy: -73.504717
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -20.758
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: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -184.944398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.944398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.944398 (E_RNA)
where:
Base-Base interactions energy: -116.748
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.398
local terms energy: -67.798270
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -16.140
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: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -157.497614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.497614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.497614 (E_RNA)
where:
Base-Base interactions energy: -95.365
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.012
local terms energy: -62.121000
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -90.859078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859078 (E_RNA)
where:
Base-Base interactions energy: -29.845
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.717
local terms energy: -60.296263
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -8.666
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: 339
Temperature: 1.150000
Total energy: -102.033200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.033200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.033200 (E_RNA)
where:
Base-Base interactions energy: -47.950
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.253
local terms energy: -53.829980
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -82.471274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471274 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.192
local terms energy: -46.235253
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -9.386
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -6.935
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: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -79.689664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.689664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.689664 (E_RNA)
where:
Base-Base interactions energy: -34.568
where: short stacking energy: -22.717
Base-Backbone interact. energy: -0.124
local terms energy: -44.997089
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -3.023
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: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -81.147748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.147748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.147748 (E_RNA)
where:
Base-Base interactions energy: -32.351
where: short stacking energy: -30.843
Base-Backbone interact. energy: 1.026
local terms energy: -49.822465
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -5.549
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -5.762
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: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -77.329379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.329379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.329379 (E_RNA)
where:
Base-Base interactions energy: -40.664
where: short stacking energy: -17.433
Base-Backbone interact. energy: 1.896
local terms energy: -38.561110
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: 4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -202.582935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.582935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.582935 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -57.522
Base-Backbone interact. energy: -0.148
local terms energy: -70.993878
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -199.244898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.244898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244898 (E_RNA)
where:
Base-Base interactions energy: -126.998
where: short stacking energy: -55.222
Base-Backbone interact. energy: -0.000
local terms energy: -72.245975
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -9.804
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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -195.712018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.712018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.712018 (E_RNA)
where:
Base-Base interactions energy: -125.602
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.046
local terms energy: -70.063906
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -10.412
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: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -164.814385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.814385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.814385 (E_RNA)
where:
Base-Base interactions energy: -96.124
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.107
local terms energy: -68.582666
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.614
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: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -152.451892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.451892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.451892 (E_RNA)
where:
Base-Base interactions energy: -99.838
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.008
local terms energy: -52.606031
where:
bonds (distance) C4'-P energy: -6.118
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -105.713256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.713256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.713256 (E_RNA)
where:
Base-Base interactions energy: -56.603
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.116
local terms energy: -48.994196
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -3.300
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -94.746114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.746114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.746114 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -26.787
Base-Backbone interact. energy: -0.363
local terms energy: -47.640576
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -7.439
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -93.325821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.325821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.325821 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -27.414
Base-Backbone interact. energy: 1.220
local terms energy: -51.154901
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -75.125353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.125353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.125353 (E_RNA)
where:
Base-Base interactions energy: -28.125
where: short stacking energy: -17.542
Base-Backbone interact. energy: -1.532
local terms energy: -45.468205
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -0.810
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: 340
Temperature: 1.350000
Total energy: -75.368623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.368623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.368623 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -21.527
Base-Backbone interact. energy: -0.191
local terms energy: -30.879883
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -4.511
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -213.049452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.049452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.049452 (E_RNA)
where:
Base-Base interactions energy: -143.086
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.126
local terms energy: -69.837708
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -10.239
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: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -198.278065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.278065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.278065 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.159
local terms energy: -68.909468
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -188.701389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.701389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.701389 (E_RNA)
where:
Base-Base interactions energy: -123.043
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.695
local terms energy: -64.962806
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -182.476263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.476263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.476263 (E_RNA)
where:
Base-Base interactions energy: -119.888
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.867
local terms energy: -61.721799
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -16.825
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -151.828450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.828450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.828450 (E_RNA)
where:
Base-Base interactions energy: -83.591
where: short stacking energy: -40.510
Base-Backbone interact. energy: -0.773
local terms energy: -67.464391
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -11.304
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: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -108.854467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.854467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.854467 (E_RNA)
where:
Base-Base interactions energy: -60.286
where: short stacking energy: -37.202
Base-Backbone interact. energy: 0.785
local terms energy: -49.353087
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -6.469
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: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -77.776683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.776683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.776683 (E_RNA)
where:
Base-Base interactions energy: -29.122
where: short stacking energy: -29.122
Base-Backbone interact. energy: 1.265
local terms energy: -49.920522
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -7.384
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: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -84.101859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.101859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.101859 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.020
local terms energy: -51.950610
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -89.325312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.325312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.325312 (E_RNA)
where:
Base-Base interactions energy: -33.934
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.009
local terms energy: -55.382591
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -71.925276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.925276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.925276 (E_RNA)
where:
Base-Base interactions energy: -28.144
where: short stacking energy: -23.007
Base-Backbone interact. energy: -0.111
local terms energy: -43.670473
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -5.337
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -201.224995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.224995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.224995 (E_RNA)
where:
Base-Base interactions energy: -135.305
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.021
local terms energy: -65.899514
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -197.821043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.821043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.821043 (E_RNA)
where:
Base-Base interactions energy: -124.911
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.001
local terms energy: -72.909300
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -18.270
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: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -192.131496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.131496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.131496 (E_RNA)
where:
Base-Base interactions energy: -118.233
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.273
local terms energy: -73.625007
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.397
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: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -163.240489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.240489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.240489 (E_RNA)
where:
Base-Base interactions energy: -98.830
where: short stacking energy: -46.224
Base-Backbone interact. energy: -0.554
local terms energy: -63.856172
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -166.424262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.424262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.424262 (E_RNA)
where:
Base-Base interactions energy: -108.837
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.076
local terms energy: -57.511418
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -109.482527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.482527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.482527 (E_RNA)
where:
Base-Base interactions energy: -53.689
where: short stacking energy: -29.229
Base-Backbone interact. energy: -0.194
local terms energy: -55.599688
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -2.325
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: 342
Temperature: 1.200000
Total energy: -88.210638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.210638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.210638 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -38.760
Base-Backbone interact. energy: -0.036
local terms energy: -44.914213
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -4.813
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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -76.767534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.767534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.767534 (E_RNA)
where:
Base-Base interactions energy: -23.875
where: short stacking energy: -16.530
Base-Backbone interact. energy: -0.062
local terms energy: -52.830911
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -75.850837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.850837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.850837 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -13.462
Base-Backbone interact. energy: -0.369
local terms energy: -36.234513
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -9.197
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: 0.893
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: 342
Temperature: 1.350000
Total energy: -77.526191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.526191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.526191 (E_RNA)
where:
Base-Base interactions energy: -26.644
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.126
local terms energy: -50.756609
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -203.612274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.612274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612274 (E_RNA)
where:
Base-Base interactions energy: -133.274
where: short stacking energy: -65.867
Base-Backbone interact. energy: -0.001
local terms energy: -70.337979
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -16.606
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: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -209.573811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.573811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.573811 (E_RNA)
where:
Base-Base interactions energy: -135.718
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.000
local terms energy: -73.855139
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -192.812468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.812468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.812468 (E_RNA)
where:
Base-Base interactions energy: -125.480
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.223
local terms energy: -67.109685
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -7.294
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -170.804312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.804312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.804312 (E_RNA)
where:
Base-Base interactions energy: -106.409
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.125
local terms energy: -64.269498
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -184.853083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.853083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.853083 (E_RNA)
where:
Base-Base interactions energy: -122.609
where: short stacking energy: -57.363
Base-Backbone interact. energy: 0.432
local terms energy: -62.676266
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.958
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: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -94.963660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.963660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.963660 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -33.223
Base-Backbone interact. energy: -0.118
local terms energy: -57.523762
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.704
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: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -87.746350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.746350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.746350 (E_RNA)
where:
Base-Base interactions energy: -44.511
where: short stacking energy: -22.202
Base-Backbone interact. energy: -0.152
local terms energy: -43.083728
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -7.322
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: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -75.534935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.534935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.534935 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.142
local terms energy: -44.882005
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.474
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: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -70.003756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.003756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.003756 (E_RNA)
where:
Base-Base interactions energy: -24.683
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.102
local terms energy: -45.217847
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -74.619787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.619787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.619787 (E_RNA)
where:
Base-Base interactions energy: -28.346
where: short stacking energy: -26.541
Base-Backbone interact. energy: -0.095
local terms energy: -46.179603
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -6.467
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -214.021591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.021591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.021591 (E_RNA)
where:
Base-Base interactions energy: -138.082
where: short stacking energy: -61.835
Base-Backbone interact. energy: -0.002
local terms energy: -75.937085
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -207.980471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.980471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.980471 (E_RNA)
where:
Base-Base interactions energy: -134.365
where: short stacking energy: -66.930
Base-Backbone interact. energy: -1.133
local terms energy: -72.482494
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -171.824411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.824411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824411 (E_RNA)
where:
Base-Base interactions energy: -112.256
where: short stacking energy: -47.294
Base-Backbone interact. energy: 0.147
local terms energy: -59.714806
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -9.273
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: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -190.758176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.758176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758176 (E_RNA)
where:
Base-Base interactions energy: -125.716
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.007
local terms energy: -65.035062
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -186.156228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156228 (E_RNA)
where:
Base-Base interactions energy: -120.819
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.285
local terms energy: -65.051969
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -106.908073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.908073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.908073 (E_RNA)
where:
Base-Base interactions energy: -59.851
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.514
local terms energy: -46.543747
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -102.639574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.639574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.639574 (E_RNA)
where:
Base-Base interactions energy: -56.007
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.287
local terms energy: -46.344947
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -85.853154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.853154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.853154 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.036
local terms energy: -48.759840
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -10.871
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: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -78.211517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.211517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.211517 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -34.684
Base-Backbone interact. energy: -0.182
local terms energy: -42.570824
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -88.408372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.408372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.408372 (E_RNA)
where:
Base-Base interactions energy: -33.392
where: short stacking energy: -28.396
Base-Backbone interact. energy: -1.256
local terms energy: -53.759988
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -5.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -217.027499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.027499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.027499 (E_RNA)
where:
Base-Base interactions energy: -141.087
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.106
local terms energy: -75.834495
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -199.560757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.560757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.560757 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.603
local terms energy: -69.414359
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -14.057
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: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -175.240453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.240453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.240453 (E_RNA)
where:
Base-Base interactions energy: -111.958
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.208
local terms energy: -63.073807
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -13.691
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: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -187.150693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.150693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.150693 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.159
local terms energy: -63.263109
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -174.399482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.399482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.399482 (E_RNA)
where:
Base-Base interactions energy: -113.364
where: short stacking energy: -48.870
Base-Backbone interact. energy: 0.438
local terms energy: -61.473359
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.141
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -93.067545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.067545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.067545 (E_RNA)
where:
Base-Base interactions energy: -41.376
where: short stacking energy: -13.300
Base-Backbone interact. energy: -0.460
local terms energy: -51.231181
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: 0.153
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -108.701181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.701181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.701181 (E_RNA)
where:
Base-Base interactions energy: -57.663
where: short stacking energy: -21.977
Base-Backbone interact. energy: -0.956
local terms energy: -50.081979
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -88.575697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575697 (E_RNA)
where:
Base-Base interactions energy: -31.388
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.155
local terms energy: -57.033330
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -5.457
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: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -73.396754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.396754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.396754 (E_RNA)
where:
Base-Base interactions energy: -26.058
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.087
local terms energy: -47.251509
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -70.970166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.970166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.970166 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -28.194
Base-Backbone interact. energy: -0.082
local terms energy: -42.693413
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -7.736
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -2.377
tors. eta vs tors. theta energy: -2.915
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: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -205.886511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.886511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.886511 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.059
local terms energy: -66.826482
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -202.997047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.997047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.997047 (E_RNA)
where:
Base-Base interactions energy: -133.854
where: short stacking energy: -59.204
Base-Backbone interact. energy: -0.316
local terms energy: -68.827955
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -3.794
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: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -187.866160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.866160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.866160 (E_RNA)
where:
Base-Base interactions energy: -118.667
where: short stacking energy: -50.375
Base-Backbone interact. energy: -0.032
local terms energy: -69.166811
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -10.098
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: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -163.669308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.669308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.669308 (E_RNA)
where:
Base-Base interactions energy: -104.010
where: short stacking energy: -45.855
Base-Backbone interact. energy: -0.610
local terms energy: -59.048807
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -142.202256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.202256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.202256 (E_RNA)
where:
Base-Base interactions energy: -88.376
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.120
local terms energy: -53.706174
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -98.586927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.586927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.586927 (E_RNA)
where:
Base-Base interactions energy: -43.667
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.155
local terms energy: -54.764882
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -87.514163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.514163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.514163 (E_RNA)
where:
Base-Base interactions energy: -32.857
where: short stacking energy: -22.786
Base-Backbone interact. energy: -0.159
local terms energy: -54.498179
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -86.131457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.131457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.131457 (E_RNA)
where:
Base-Base interactions energy: -28.122
where: short stacking energy: -26.943
Base-Backbone interact. energy: -0.151
local terms energy: -57.858084
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -86.550005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.550005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.550005 (E_RNA)
where:
Base-Base interactions energy: -30.932
where: short stacking energy: -30.865
Base-Backbone interact. energy: -0.106
local terms energy: -55.511622
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -10.656
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: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -73.642591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.642591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.642591 (E_RNA)
where:
Base-Base interactions energy: -26.133
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.034
local terms energy: -47.476348
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -208.310359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310359 (E_RNA)
where:
Base-Base interactions energy: -138.540
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.046
local terms energy: -69.724595
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -206.817804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.817804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.817804 (E_RNA)
where:
Base-Base interactions energy: -132.877
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.081
local terms energy: -73.859469
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -189.007344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.007344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.007344 (E_RNA)
where:
Base-Base interactions energy: -125.965
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.013
local terms energy: -63.029244
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -14.451
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -155.343997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.343997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.343997 (E_RNA)
where:
Base-Base interactions energy: -103.458
where: short stacking energy: -52.504
Base-Backbone interact. energy: -0.107
local terms energy: -51.778588
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -141.712955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.712955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.712955 (E_RNA)
where:
Base-Base interactions energy: -89.712
where: short stacking energy: -42.618
Base-Backbone interact. energy: -0.172
local terms energy: -51.829099
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -134.717034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.717034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.717034 (E_RNA)
where:
Base-Base interactions energy: -79.250
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.076
local terms energy: -55.390870
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -139.790454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.790454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.790454 (E_RNA)
where:
Base-Base interactions energy: -80.622
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.880
local terms energy: -58.288872
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -13.166
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: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -84.462910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.462910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.462910 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.531
local terms energy: -50.867322
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -69.021722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.021722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.021722 (E_RNA)
where:
Base-Base interactions energy: -19.568
where: short stacking energy: -19.568
Base-Backbone interact. energy: -0.171
local terms energy: -49.282462
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -5.937
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: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -71.338640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.338640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.338640 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -17.303
Base-Backbone interact. energy: -0.539
local terms energy: -40.935741
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -209.729498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.729498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.729498 (E_RNA)
where:
Base-Base interactions energy: -140.543
where: short stacking energy: -67.524
Base-Backbone interact. energy: -0.293
local terms energy: -68.894138
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -192.826667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826667 (E_RNA)
where:
Base-Base interactions energy: -124.602
where: short stacking energy: -47.502
Base-Backbone interact. energy: -0.052
local terms energy: -68.172982
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -168.096504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.096504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.096504 (E_RNA)
where:
Base-Base interactions energy: -112.557
where: short stacking energy: -41.341
Base-Backbone interact. energy: 0.770
local terms energy: -56.309849
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -183.382330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.382330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.382330 (E_RNA)
where:
Base-Base interactions energy: -115.202
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.612
local terms energy: -67.568334
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -98.811310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.811310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.811310 (E_RNA)
where:
Base-Base interactions energy: -48.882
where: short stacking energy: -26.040
Base-Backbone interact. energy: 0.330
local terms energy: -50.259312
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -0.389
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: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -135.848232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.848232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.848232 (E_RNA)
where:
Base-Base interactions energy: -86.632
where: short stacking energy: -39.144
Base-Backbone interact. energy: -0.091
local terms energy: -49.125524
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -136.484465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.484465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.484465 (E_RNA)
where:
Base-Base interactions energy: -78.097
where: short stacking energy: -38.741
Base-Backbone interact. energy: -0.188
local terms energy: -58.199607
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: -12.556
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -85.344263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.344263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.344263 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -26.064
Base-Backbone interact. energy: 0.776
local terms energy: -49.898278
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -84.164191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164191 (E_RNA)
where:
Base-Base interactions energy: -37.157
where: short stacking energy: -26.116
Base-Backbone interact. energy: 1.315
local terms energy: -48.322454
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: 1.589
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -66.228597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.228597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.228597 (E_RNA)
where:
Base-Base interactions energy: -23.752
where: short stacking energy: -23.752
Base-Backbone interact. energy: -0.008
local terms energy: -42.467807
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -217.619096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.619096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.619096 (E_RNA)
where:
Base-Base interactions energy: -137.911
where: short stacking energy: -65.854
Base-Backbone interact. energy: -0.230
local terms energy: -79.478738
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -22.223
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: 349
Temperature: 0.950000
Total energy: -184.416232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.416232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.416232 (E_RNA)
where:
Base-Base interactions energy: -120.044
where: short stacking energy: -49.147
Base-Backbone interact. energy: -0.398
local terms energy: -63.974304
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -194.567396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.567396 (E_RNA)
where:
Base-Base interactions energy: -119.463
where: short stacking energy: -64.511
Base-Backbone interact. energy: -0.000
local terms energy: -75.103623
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.454
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: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -179.003462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.003462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.003462 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -49.813
Base-Backbone interact. energy: -0.011
local terms energy: -60.632583
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -8.264
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: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -93.999382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.999382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.999382 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -29.841
Base-Backbone interact. energy: -0.218
local terms energy: -56.278230
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -125.950871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.950871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.950871 (E_RNA)
where:
Base-Base interactions energy: -72.620
where: short stacking energy: -39.537
Base-Backbone interact. energy: -0.503
local terms energy: -52.828149
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -9.375
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: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -148.111995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.111995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.111995 (E_RNA)
where:
Base-Base interactions energy: -87.047
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.099
local terms energy: -60.965455
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -86.354169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.354169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.354169 (E_RNA)
where:
Base-Base interactions energy: -38.111
where: short stacking energy: -33.324
Base-Backbone interact. energy: -0.649
local terms energy: -47.594214
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -79.232667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.232667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.232667 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.354
local terms energy: -49.051887
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -9.567
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: 349
Temperature: 1.350000
Total energy: -84.506591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506591 (E_RNA)
where:
Base-Base interactions energy: -38.683
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.450
local terms energy: -45.373630
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -0.524
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -204.125975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.125975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.125975 (E_RNA)
where:
Base-Base interactions energy: -133.982
where: short stacking energy: -67.748
Base-Backbone interact. energy: -0.002
local terms energy: -70.141953
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -203.485887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.485887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.485887 (E_RNA)
where:
Base-Base interactions energy: -130.438
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.242
local terms energy: -72.806084
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -188.261486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.261486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.261486 (E_RNA)
where:
Base-Base interactions energy: -123.879
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.041
local terms energy: -64.341730
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -4.289
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: 350
Temperature: 1.050000
Total energy: -183.547935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.547935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.547935 (E_RNA)
where:
Base-Base interactions energy: -118.557
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.573
local terms energy: -64.417862
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -132.205276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.205276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.205276 (E_RNA)
where:
Base-Base interactions energy: -81.098
where: short stacking energy: -47.887
Base-Backbone interact. energy: -0.249
local terms energy: -50.857563
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -5.781
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -97.844440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.844440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.844440 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -34.584
Base-Backbone interact. energy: -0.558
local terms energy: -57.848014
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -152.641033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.641033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.641033 (E_RNA)
where:
Base-Base interactions energy: -92.413
where: short stacking energy: -43.284
Base-Backbone interact. energy: -0.102
local terms energy: -60.125870
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -10.260
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: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -85.884879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884879 (E_RNA)
where:
Base-Base interactions energy: -36.002
where: short stacking energy: -30.098
Base-Backbone interact. energy: 0.946
local terms energy: -50.828484
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -9.343
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: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -75.697446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.697446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.697446 (E_RNA)
where:
Base-Base interactions energy: -26.177
where: short stacking energy: -22.090
Base-Backbone interact. energy: -0.610
local terms energy: -48.910856
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -2.248
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: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -88.072094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.072094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.072094 (E_RNA)
where:
Base-Base interactions energy: -39.834
where: short stacking energy: -27.049
Base-Backbone interact. energy: -0.014
local terms energy: -48.224770
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -204.222384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222384 (E_RNA)
where:
Base-Base interactions energy: -130.342
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.089
local terms energy: -73.791488
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -14.613
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -210.406314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.406314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406314 (E_RNA)
where:
Base-Base interactions energy: -142.076
where: short stacking energy: -59.924
Base-Backbone interact. energy: 0.732
local terms energy: -69.061408
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -199.722733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.722733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.722733 (E_RNA)
where:
Base-Base interactions energy: -130.745
where: short stacking energy: -53.594
Base-Backbone interact. energy: -0.852
local terms energy: -68.125570
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -202.234252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.234252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.234252 (E_RNA)
where:
Base-Base interactions energy: -132.073
where: short stacking energy: -59.486
Base-Backbone interact. energy: 0.563
local terms energy: -70.724461
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -118.500193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.500193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.500193 (E_RNA)
where:
Base-Base interactions energy: -61.302
where: short stacking energy: -35.195
Base-Backbone interact. energy: -0.238
local terms energy: -56.960280
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -134.896458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.896458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.896458 (E_RNA)
where:
Base-Base interactions energy: -78.798
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.117
local terms energy: -55.981300
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -77.638489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.638489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.638489 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.081
local terms energy: -43.169273
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -85.197712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.197712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.197712 (E_RNA)
where:
Base-Base interactions energy: -32.967
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.092
local terms energy: -52.138220
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -80.276092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.276092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.276092 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -29.413
Base-Backbone interact. energy: 1.194
local terms energy: -50.540067
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -87.932844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932844 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.465
local terms energy: -48.147192
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -207.101444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.101444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.101444 (E_RNA)
where:
Base-Base interactions energy: -136.173
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.043
local terms energy: -70.885939
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -202.323088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.323088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.323088 (E_RNA)
where:
Base-Base interactions energy: -137.348
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.056
local terms energy: -64.918400
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -193.369345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.369345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.369345 (E_RNA)
where:
Base-Base interactions energy: -130.695
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.125
local terms energy: -62.549181
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -193.662252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.662252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.662252 (E_RNA)
where:
Base-Base interactions energy: -124.435
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.098
local terms energy: -69.128884
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -19.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -123.466793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.466793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.466793 (E_RNA)
where:
Base-Base interactions energy: -65.807
where: short stacking energy: -38.803
Base-Backbone interact. energy: 0.741
local terms energy: -58.401331
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -97.532384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.532384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.532384 (E_RNA)
where:
Base-Base interactions energy: -41.417
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.312
local terms energy: -55.803146
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -91.636915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.636915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.636915 (E_RNA)
where:
Base-Base interactions energy: -47.019
where: short stacking energy: -28.121
Base-Backbone interact. energy: -0.140
local terms energy: -44.478049
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -3.096
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: 352
Temperature: 1.250000
Total energy: -87.748393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.748393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.748393 (E_RNA)
where:
Base-Base interactions energy: -32.094
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.758
local terms energy: -54.896842
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -76.176719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.176719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.176719 (E_RNA)
where:
Base-Base interactions energy: -28.780
where: short stacking energy: -25.645
Base-Backbone interact. energy: -0.099
local terms energy: -47.297828
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -74.538518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.538518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.538518 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.090
local terms energy: -48.369458
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -8.902
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: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -198.668123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.668123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.668123 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.766
local terms energy: -71.299753
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.296
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: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -194.795027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.795027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.795027 (E_RNA)
where:
Base-Base interactions energy: -130.612
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.013
local terms energy: -64.169826
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -17.335
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -198.823910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.823910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.823910 (E_RNA)
where:
Base-Base interactions energy: -128.080
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.060
local terms energy: -70.683736
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -193.898458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.898458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.898458 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -55.758
Base-Backbone interact. energy: 0.762
local terms energy: -63.146155
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -6.505
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: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -126.099539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.099539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.099539 (E_RNA)
where:
Base-Base interactions energy: -72.919
where: short stacking energy: -39.077
Base-Backbone interact. energy: 0.027
local terms energy: -53.208412
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.002
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: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -140.831981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.831981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.831981 (E_RNA)
where:
Base-Base interactions energy: -89.112
where: short stacking energy: -27.660
Base-Backbone interact. energy: -0.542
local terms energy: -51.177457
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -5.775
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: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -83.793203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793203 (E_RNA)
where:
Base-Base interactions energy: -30.650
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.052
local terms energy: -53.091317
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -82.642264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.642264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.642264 (E_RNA)
where:
Base-Base interactions energy: -35.532
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.320
local terms energy: -46.790541
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -7.594
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -77.120404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.120404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.120404 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -31.075
Base-Backbone interact. energy: -0.232
local terms energy: -45.272455
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -80.786839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.786839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.786839 (E_RNA)
where:
Base-Base interactions energy: -30.910
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.295
local terms energy: -49.581591
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -202.060448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.060448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.060448 (E_RNA)
where:
Base-Base interactions energy: -129.869
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.026
local terms energy: -72.165330
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.279
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: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -201.547711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.547711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.547711 (E_RNA)
where:
Base-Base interactions energy: -132.014
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.436
local terms energy: -69.098078
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -7.033
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: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -193.873280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.873280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.873280 (E_RNA)
where:
Base-Base interactions energy: -128.418
where: short stacking energy: -53.917
Base-Backbone interact. energy: 1.178
local terms energy: -66.633846
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -189.972437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.972437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.972437 (E_RNA)
where:
Base-Base interactions energy: -116.982
where: short stacking energy: -56.049
Base-Backbone interact. energy: -1.484
local terms energy: -71.506138
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -19.249
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: 354
Temperature: 1.100000
Total energy: -147.911452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.911452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.911452 (E_RNA)
where:
Base-Base interactions energy: -88.788
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.836
local terms energy: -58.287619
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -7.655
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: 354
Temperature: 1.150000
Total energy: -94.578752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.578752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.578752 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -36.183
Base-Backbone interact. energy: -0.266
local terms energy: -58.129556
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -9.752
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: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -84.597543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597543 (E_RNA)
where:
Base-Base interactions energy: -38.466
where: short stacking energy: -21.737
Base-Backbone interact. energy: 4.932
local terms energy: -51.063914
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -8.992
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: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -91.640454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.640454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.640454 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.511
local terms energy: -52.946977
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -8.844
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: 354
Temperature: 1.300000
Total energy: -75.348467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.348467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.348467 (E_RNA)
where:
Base-Base interactions energy: -22.436
where: short stacking energy: -21.049
Base-Backbone interact. energy: 1.167
local terms energy: -54.078831
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -2.844
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: 354
Temperature: 1.350000
Total energy: -68.000190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.000190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.000190 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -24.763
Base-Backbone interact. energy: 0.135
local terms energy: -30.135547
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -5.754
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -1.972
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: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -211.568715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.568715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.568715 (E_RNA)
where:
Base-Base interactions energy: -147.268
where: short stacking energy: -68.620
Base-Backbone interact. energy: -0.010
local terms energy: -64.290662
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -199.455158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.455158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.455158 (E_RNA)
where:
Base-Base interactions energy: -130.398
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.613
local terms energy: -68.444065
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -187.982988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.982988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.982988 (E_RNA)
where:
Base-Base interactions energy: -120.361
where: short stacking energy: -59.109
Base-Backbone interact. energy: 1.207
local terms energy: -68.828890
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -184.022933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.022933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.022933 (E_RNA)
where:
Base-Base interactions energy: -115.814
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.018
local terms energy: -68.190736
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -166.284026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.284026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.284026 (E_RNA)
where:
Base-Base interactions energy: -112.006
where: short stacking energy: -42.576
Base-Backbone interact. energy: -1.685
local terms energy: -52.593401
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -85.636498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.636498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.636498 (E_RNA)
where:
Base-Base interactions energy: -26.175
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.168
local terms energy: -59.293942
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -5.393
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: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -80.167288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167288 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -25.845
Base-Backbone interact. energy: 0.561
local terms energy: -54.883025
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -77.803926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.803926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.803926 (E_RNA)
where:
Base-Base interactions energy: -23.618
where: short stacking energy: -23.618
Base-Backbone interact. energy: -0.078
local terms energy: -54.108177
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -82.748238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.748238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.748238 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -32.404
Base-Backbone interact. energy: 1.092
local terms energy: -51.205835
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -4.669
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: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -66.768805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.768805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.768805 (E_RNA)
where:
Base-Base interactions energy: -24.942
where: short stacking energy: -23.099
Base-Backbone interact. energy: -0.260
local terms energy: -41.566594
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: 1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -211.729484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.729484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.729484 (E_RNA)
where:
Base-Base interactions energy: -139.738
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.029
local terms energy: -71.962199
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -15.086
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: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -210.177523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.177523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.177523 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -68.407
Base-Backbone interact. energy: -0.411
local terms energy: -72.435333
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -193.123127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.123127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.123127 (E_RNA)
where:
Base-Base interactions energy: -122.321
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.091
local terms energy: -70.710421
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -200.408220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.408220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.408220 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -61.113
Base-Backbone interact. energy: 0.846
local terms energy: -68.456480
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -19.992
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: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -144.048896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.048896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.048896 (E_RNA)
where:
Base-Base interactions energy: -82.236
where: short stacking energy: -46.726
Base-Backbone interact. energy: -0.249
local terms energy: -61.564283
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -9.340
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: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -80.653744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.653744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.653744 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -14.622
Base-Backbone interact. energy: -0.219
local terms energy: -46.531814
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: 0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -97.689491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.689491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.689491 (E_RNA)
where:
Base-Base interactions energy: -66.970
where: short stacking energy: -31.623
Base-Backbone interact. energy: -0.125
local terms energy: -30.594622
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -5.431
flat angles P-C4'-P energy: -0.167
tors. eta vs tors. theta energy: -2.899
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: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -83.222687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222687 (E_RNA)
where:
Base-Base interactions energy: -31.818
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.272
local terms energy: -51.132874
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -73.390595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.390595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.390595 (E_RNA)
where:
Base-Base interactions energy: -25.444
where: short stacking energy: -25.444
Base-Backbone interact. energy: -0.109
local terms energy: -47.837985
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -4.202
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: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -89.423819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.423819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.423819 (E_RNA)
where:
Base-Base interactions energy: -32.711
where: short stacking energy: -27.748
Base-Backbone interact. energy: -0.191
local terms energy: -56.522333
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -209.378375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378375 (E_RNA)
where:
Base-Base interactions energy: -139.946
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.618
local terms energy: -68.814339
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -203.519506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.519506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.519506 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.133
local terms energy: -72.170358
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -203.357059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.357059 (E_RNA)
where:
Base-Base interactions energy: -133.362
where: short stacking energy: -69.393
Base-Backbone interact. energy: -0.242
local terms energy: -69.752407
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -193.344653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.344653 (E_RNA)
where:
Base-Base interactions energy: -131.221
where: short stacking energy: -62.975
Base-Backbone interact. energy: -0.015
local terms energy: -62.107880
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -125.559643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.559643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.559643 (E_RNA)
where:
Base-Base interactions energy: -68.246
where: short stacking energy: -38.287
Base-Backbone interact. energy: -0.151
local terms energy: -57.162965
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -9.140
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: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -100.812763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.812763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.812763 (E_RNA)
where:
Base-Base interactions energy: -56.011
where: short stacking energy: -30.698
Base-Backbone interact. energy: 0.303
local terms energy: -45.104035
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: -0.712
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: 357
Temperature: 1.200000
Total energy: -104.111979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.111979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.111979 (E_RNA)
where:
Base-Base interactions energy: -49.845
where: short stacking energy: -27.183
Base-Backbone interact. energy: -0.189
local terms energy: -54.077699
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -77.324347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.324347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.324347 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -20.225
Base-Backbone interact. energy: -0.152
local terms energy: -45.842220
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -79.039753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.039753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.039753 (E_RNA)
where:
Base-Base interactions energy: -34.422
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.049
local terms energy: -44.568391
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -73.901271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.901271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.901271 (E_RNA)
where:
Base-Base interactions energy: -27.768
where: short stacking energy: -22.718
Base-Backbone interact. energy: -0.117
local terms energy: -46.016456
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -211.780186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.780186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.780186 (E_RNA)
where:
Base-Base interactions energy: -135.371
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.003
local terms energy: -76.406298
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -19.337
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: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -200.412534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.412534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.412534 (E_RNA)
where:
Base-Base interactions energy: -134.752
where: short stacking energy: -49.448
Base-Backbone interact. energy: -0.952
local terms energy: -64.708744
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -15.312
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: 358
Temperature: 1.000000
Total energy: -191.517025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.517025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.517025 (E_RNA)
where:
Base-Base interactions energy: -126.024
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.166
local terms energy: -65.327817
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.868
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: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -191.607932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.607932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.607932 (E_RNA)
where:
Base-Base interactions energy: -121.562
where: short stacking energy: -49.923
Base-Backbone interact. energy: -0.618
local terms energy: -69.427228
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -116.079113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.079113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.079113 (E_RNA)
where:
Base-Base interactions energy: -60.610
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.286
local terms energy: -55.183811
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.834
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: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -91.466475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.466475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.466475 (E_RNA)
where:
Base-Base interactions energy: -42.951
where: short stacking energy: -20.177
Base-Backbone interact. energy: -0.558
local terms energy: -47.956881
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -4.323
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: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -110.377753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.377753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.377753 (E_RNA)
where:
Base-Base interactions energy: -60.146
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.919
local terms energy: -49.311957
where:
bonds (distance) C4'-P energy: -7.501
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.108898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108898 (E_RNA)
where:
Base-Base interactions energy: -39.780
where: short stacking energy: -32.532
Base-Backbone interact. energy: 0.651
local terms energy: -50.980456
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -79.768263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.768263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.768263 (E_RNA)
where:
Base-Base interactions energy: -30.556
where: short stacking energy: -30.556
Base-Backbone interact. energy: 1.246
local terms energy: -50.458296
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -73.627406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.627406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.627406 (E_RNA)
where:
Base-Base interactions energy: -22.659
where: short stacking energy: -18.332
Base-Backbone interact. energy: -0.292
local terms energy: -50.676516
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -204.756825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.756825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.756825 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -56.902
Base-Backbone interact. energy: -0.055
local terms energy: -70.166527
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -15.908
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: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -192.045053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.045053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.045053 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.281
local terms energy: -70.213356
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -189.795119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.795119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.795119 (E_RNA)
where:
Base-Base interactions energy: -132.075
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.551
local terms energy: -57.169038
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -5.006
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: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -191.795434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.795434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.795434 (E_RNA)
where:
Base-Base interactions energy: -123.035
where: short stacking energy: -55.968
Base-Backbone interact. energy: 0.913
local terms energy: -69.673276
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -143.240739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.240739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.240739 (E_RNA)
where:
Base-Base interactions energy: -87.386
where: short stacking energy: -43.549
Base-Backbone interact. energy: 0.913
local terms energy: -56.768076
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -114.589393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.589393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.589393 (E_RNA)
where:
Base-Base interactions energy: -59.569
where: short stacking energy: -42.215
Base-Backbone interact. energy: -0.005
local terms energy: -55.015659
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -85.091451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.091451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.091451 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.109
local terms energy: -54.826190
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -85.857061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.857061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.857061 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.446
local terms energy: -48.521638
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -9.030
flat angles P-C4'-P energy: -7.322
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: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -86.250401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.250401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.250401 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -34.819
Base-Backbone interact. energy: 2.044
local terms energy: -53.475805
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -81.792306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.792306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.792306 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -18.609
Base-Backbone interact. energy: -0.118
local terms energy: -47.196616
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -207.103955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.103955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.103955 (E_RNA)
where:
Base-Base interactions energy: -130.413
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.021
local terms energy: -76.670359
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -191.979459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.979459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.979459 (E_RNA)
where:
Base-Base interactions energy: -126.633
where: short stacking energy: -55.852
Base-Backbone interact. energy: 0.670
local terms energy: -66.017152
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -194.664213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.664213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.664213 (E_RNA)
where:
Base-Base interactions energy: -128.729
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.112
local terms energy: -65.822754
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -190.301180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.301180 (E_RNA)
where:
Base-Base interactions energy: -114.790
where: short stacking energy: -53.523
Base-Backbone interact. energy: -0.005
local terms energy: -75.506034
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.659
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: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -143.845995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.845995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.845995 (E_RNA)
where:
Base-Base interactions energy: -92.358
where: short stacking energy: -46.416
Base-Backbone interact. energy: -0.027
local terms energy: -51.460353
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -90.361534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361534 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -34.741
Base-Backbone interact. energy: -0.048
local terms energy: -53.601508
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -91.569648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.569648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.569648 (E_RNA)
where:
Base-Base interactions energy: -37.405
where: short stacking energy: -27.503
Base-Backbone interact. energy: -0.052
local terms energy: -54.113140
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -83.424738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.424738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.424738 (E_RNA)
where:
Base-Base interactions energy: -29.999
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.269
local terms energy: -53.156285
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -5.994
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: 360
Temperature: 1.300000
Total energy: -82.011375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.011375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.011375 (E_RNA)
where:
Base-Base interactions energy: -31.044
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.023
local terms energy: -50.944280
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -4.354
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: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -73.496197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.496197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.496197 (E_RNA)
where:
Base-Base interactions energy: -20.201
where: short stacking energy: -20.201
Base-Backbone interact. energy: -0.184
local terms energy: -53.110777
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -201.682658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.682658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.682658 (E_RNA)
where:
Base-Base interactions energy: -132.411
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.101
local terms energy: -69.170742
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -20.487
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: 361
Temperature: 0.950000
Total energy: -208.156631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.156631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.156631 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -60.784
Base-Backbone interact. energy: -0.405
local terms energy: -73.384190
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -21.814
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: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -206.272829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272829 (E_RNA)
where:
Base-Base interactions energy: -135.803
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.587
local terms energy: -69.882747
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -20.014
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: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -195.652799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.652799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.652799 (E_RNA)
where:
Base-Base interactions energy: -123.540
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.149
local terms energy: -71.963354
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -17.852
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: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -112.177371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.177371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.177371 (E_RNA)
where:
Base-Base interactions energy: -60.323
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.070
local terms energy: -51.784298
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -85.825061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825061 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -33.858
Base-Backbone interact. energy: -1.147
local terms energy: -48.084325
where:
bonds (distance) C4'-P energy: -6.458
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -95.163632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.163632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.163632 (E_RNA)
where:
Base-Base interactions energy: -45.489
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.098
local terms energy: -49.577199
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -79.969236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.969236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.969236 (E_RNA)
where:
Base-Base interactions energy: -21.852
where: short stacking energy: -21.211
Base-Backbone interact. energy: -0.415
local terms energy: -57.701526
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -102.475839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.475839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.475839 (E_RNA)
where:
Base-Base interactions energy: -62.461
where: short stacking energy: -21.128
Base-Backbone interact. energy: -0.719
local terms energy: -39.295296
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -73.755438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.755438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.755438 (E_RNA)
where:
Base-Base interactions energy: -20.086
where: short stacking energy: -20.986
Base-Backbone interact. energy: -1.181
local terms energy: -52.487817
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -4.821
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: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -202.329583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.329583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.329583 (E_RNA)
where:
Base-Base interactions energy: -138.267
where: short stacking energy: -58.314
Base-Backbone interact. energy: -0.217
local terms energy: -63.846034
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -202.490750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490750 (E_RNA)
where:
Base-Base interactions energy: -130.067
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.071
local terms energy: -72.352988
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -198.387754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.387754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.387754 (E_RNA)
where:
Base-Base interactions energy: -135.856
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.318
local terms energy: -62.214128
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -196.059853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.059853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.059853 (E_RNA)
where:
Base-Base interactions energy: -122.566
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.497
local terms energy: -72.996659
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -18.484
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: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -99.538199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.538199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.538199 (E_RNA)
where:
Base-Base interactions energy: -46.111
where: short stacking energy: -37.657
Base-Backbone interact. energy: -0.105
local terms energy: -53.322239
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -9.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -111.304717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.304717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.304717 (E_RNA)
where:
Base-Base interactions energy: -58.017
where: short stacking energy: -29.977
Base-Backbone interact. energy: -0.423
local terms energy: -52.864820
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -7.814
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: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -92.829200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.829200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.829200 (E_RNA)
where:
Base-Base interactions energy: -37.874
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.004
local terms energy: -54.951181
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -79.852677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.852677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.852677 (E_RNA)
where:
Base-Base interactions energy: -40.248
where: short stacking energy: -22.419
Base-Backbone interact. energy: -0.048
local terms energy: -39.557340
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -78.394649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394649 (E_RNA)
where:
Base-Base interactions energy: -32.449
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.088
local terms energy: -45.857546
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -6.464
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -5.173
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: 362
Temperature: 1.350000
Total energy: -80.035009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.035009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.035009 (E_RNA)
where:
Base-Base interactions energy: -41.138
where: short stacking energy: -29.846
Base-Backbone interact. energy: 0.948
local terms energy: -39.844836
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -6.653
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -213.574731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.574731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.574731 (E_RNA)
where:
Base-Base interactions energy: -140.989
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.038
local terms energy: -72.547575
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -21.741
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: 363
Temperature: 0.950000
Total energy: -200.788271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.788271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.788271 (E_RNA)
where:
Base-Base interactions energy: -130.869
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.577
local terms energy: -69.342743
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.899
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: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -199.193833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.193833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.193833 (E_RNA)
where:
Base-Base interactions energy: -128.443
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.591
local terms energy: -70.159396
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.121
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: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -187.514307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.514307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.514307 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -52.996
Base-Backbone interact. energy: 1.250
local terms energy: -66.672914
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -98.720849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.720849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.720849 (E_RNA)
where:
Base-Base interactions energy: -34.466
where: short stacking energy: -34.466
Base-Backbone interact. energy: -0.067
local terms energy: -64.188115
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -88.045726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.045726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.045726 (E_RNA)
where:
Base-Base interactions energy: -42.311
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.153
local terms energy: -45.582039
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -116.802655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.802655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.802655 (E_RNA)
where:
Base-Base interactions energy: -70.176
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.205
local terms energy: -46.422263
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.310
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -75.712951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712951 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -25.970
Base-Backbone interact. energy: 0.369
local terms energy: -44.954732
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -7.875
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -73.724181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.724181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.724181 (E_RNA)
where:
Base-Base interactions energy: -22.247
where: short stacking energy: -22.247
Base-Backbone interact. energy: -1.372
local terms energy: -50.105301
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -74.811815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.811815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.811815 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -20.899
Base-Backbone interact. energy: -0.312
local terms energy: -41.513333
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -0.628
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -207.562136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.562136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.562136 (E_RNA)
where:
Base-Base interactions energy: -135.394
where: short stacking energy: -59.859
Base-Backbone interact. energy: -0.103
local terms energy: -72.064824
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -204.685865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.685865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.685865 (E_RNA)
where:
Base-Base interactions energy: -131.253
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.026
local terms energy: -73.406552
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -19.400
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -187.445584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.445584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.445584 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -56.514
Base-Backbone interact. energy: 0.941
local terms energy: -69.308310
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -197.350135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.350135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.350135 (E_RNA)
where:
Base-Base interactions energy: -128.457
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.001
local terms energy: -68.891786
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -19.473
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: 364
Temperature: 1.100000
Total energy: -100.003097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.003097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.003097 (E_RNA)
where:
Base-Base interactions energy: -37.740
where: short stacking energy: -37.395
Base-Backbone interact. energy: -0.010
local terms energy: -62.252811
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -105.099138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.099138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.099138 (E_RNA)
where:
Base-Base interactions energy: -44.925
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.014
local terms energy: -60.160594
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -104.379986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.379986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.379986 (E_RNA)
where:
Base-Base interactions energy: -53.269
where: short stacking energy: -32.280
Base-Backbone interact. energy: -0.062
local terms energy: -51.048928
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -8.608
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: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -99.677554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.677554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.677554 (E_RNA)
where:
Base-Base interactions energy: -47.546
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.247
local terms energy: -51.885101
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -5.792
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: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -79.284357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.284357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.284357 (E_RNA)
where:
Base-Base interactions energy: -23.996
where: short stacking energy: -23.712
Base-Backbone interact. energy: -0.245
local terms energy: -55.043306
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -67.134981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.134981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.134981 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -16.288
Base-Backbone interact. energy: 1.792
local terms energy: -44.846141
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -204.305381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.305381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.305381 (E_RNA)
where:
Base-Base interactions energy: -130.265
where: short stacking energy: -64.315
Base-Backbone interact. energy: -0.002
local terms energy: -74.038380
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.911
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: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -204.565257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.565257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.565257 (E_RNA)
where:
Base-Base interactions energy: -135.801
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.029
local terms energy: -68.734626
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -198.033432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.033432 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.075
local terms energy: -64.920880
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -186.869125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.869125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.869125 (E_RNA)
where:
Base-Base interactions energy: -118.238
where: short stacking energy: -50.847
Base-Backbone interact. energy: -0.131
local terms energy: -68.500362
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -14.956
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: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -102.950230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.950230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.950230 (E_RNA)
where:
Base-Base interactions energy: -53.025
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.241
local terms energy: -49.684287
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -94.680013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.680013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.680013 (E_RNA)
where:
Base-Base interactions energy: -42.168
where: short stacking energy: -42.168
Base-Backbone interact. energy: 0.010
local terms energy: -52.522227
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -90.948188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.948188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.948188 (E_RNA)
where:
Base-Base interactions energy: -37.426
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.008
local terms energy: -53.514193
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -9.792
flat angles P-C4'-P energy: -7.316
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: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -80.062161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.062161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.062161 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -14.853
Base-Backbone interact. energy: -0.303
local terms energy: -44.648966
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -1.159
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: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -68.265636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.265636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.265636 (E_RNA)
where:
Base-Base interactions energy: -23.946
where: short stacking energy: -17.223
Base-Backbone interact. energy: -0.100
local terms energy: -44.218806
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -7.198
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -7.849
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: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -83.053218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.053218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.053218 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -18.358
Base-Backbone interact. energy: 2.711
local terms energy: -49.467992
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -205.312061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.312061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.312061 (E_RNA)
where:
Base-Base interactions energy: -133.247
where: short stacking energy: -55.700
Base-Backbone interact. energy: -0.096
local terms energy: -71.968614
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -19.022
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -203.418354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.418354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.418354 (E_RNA)
where:
Base-Base interactions energy: -131.684
where: short stacking energy: -63.436
Base-Backbone interact. energy: -0.734
local terms energy: -71.000152
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -180.101434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.101434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.101434 (E_RNA)
where:
Base-Base interactions energy: -118.359
where: short stacking energy: -46.501
Base-Backbone interact. energy: -0.396
local terms energy: -61.346334
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -12.307
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: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -199.335693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.335693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.335693 (E_RNA)
where:
Base-Base interactions energy: -122.603
where: short stacking energy: -57.936
Base-Backbone interact. energy: -0.056
local terms energy: -76.676746
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -9.546
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: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -105.963550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.963550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.963550 (E_RNA)
where:
Base-Base interactions energy: -41.107
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.035
local terms energy: -64.821481
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -9.996
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: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -90.253716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.253716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.253716 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -37.374
Base-Backbone interact. energy: -0.036
local terms energy: -51.643747
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -10.366
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: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -110.326255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.326255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.326255 (E_RNA)
where:
Base-Base interactions energy: -60.547
where: short stacking energy: -31.217
Base-Backbone interact. energy: -0.266
local terms energy: -49.513680
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -5.326
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -86.257089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.257089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.257089 (E_RNA)
where:
Base-Base interactions energy: -37.397
where: short stacking energy: -37.397
Base-Backbone interact. energy: -0.048
local terms energy: -48.811581
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -8.319
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: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -71.725238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.725238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.725238 (E_RNA)
where:
Base-Base interactions energy: -30.274
where: short stacking energy: -27.154
Base-Backbone interact. energy: 2.026
local terms energy: -43.476453
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -67.312646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.312646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.312646 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -20.063
Base-Backbone interact. energy: -0.284
local terms energy: -37.748832
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -7.737
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -209.027071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.027071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.027071 (E_RNA)
where:
Base-Base interactions energy: -136.185
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.002
local terms energy: -72.840502
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -7.386
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: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -199.261761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.261761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.261761 (E_RNA)
where:
Base-Base interactions energy: -131.274
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.000
local terms energy: -67.987247
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -3.255
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: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -188.767291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.767291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.767291 (E_RNA)
where:
Base-Base interactions energy: -118.899
where: short stacking energy: -48.740
Base-Backbone interact. energy: -0.096
local terms energy: -69.772616
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.747
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: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -189.012838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.012838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.012838 (E_RNA)
where:
Base-Base interactions energy: -127.869
where: short stacking energy: -57.524
Base-Backbone interact. energy: -0.003
local terms energy: -61.140522
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -104.914364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.914364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.914364 (E_RNA)
where:
Base-Base interactions energy: -40.552
where: short stacking energy: -40.552
Base-Backbone interact. energy: -0.029
local terms energy: -64.333065
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -111.950738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.950738 (E_RNA)
where:
Base-Base interactions energy: -59.359
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.150
local terms energy: -52.441518
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -83.514360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514360 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.324
local terms energy: -54.285515
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -91.961350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.961350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.961350 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.030
local terms energy: -52.087434
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -78.730448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730448 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.166
local terms energy: -43.449785
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -82.536766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.536766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.536766 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -32.431
Base-Backbone interact. energy: 1.916
local terms energy: -50.695684
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -6.553
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -201.140644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.140644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.140644 (E_RNA)
where:
Base-Base interactions energy: -127.140
where: short stacking energy: -61.487
Base-Backbone interact. energy: 1.770
local terms energy: -75.770518
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -200.127898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.127898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.127898 (E_RNA)
where:
Base-Base interactions energy: -134.363
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.005
local terms energy: -65.759885
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -193.431755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.431755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.431755 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -49.825
Base-Backbone interact. energy: -0.138
local terms energy: -69.285886
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.352
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: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -187.334502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.334502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.334502 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -47.208
Base-Backbone interact. energy: 0.321
local terms energy: -71.658960
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -17.583
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: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -113.933967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.933967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.933967 (E_RNA)
where:
Base-Base interactions energy: -64.950
where: short stacking energy: -33.991
Base-Backbone interact. energy: -0.281
local terms energy: -48.702710
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -3.411
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: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -98.333575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.333575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.333575 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.003
local terms energy: -65.487659
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -86.038202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.038202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.038202 (E_RNA)
where:
Base-Base interactions energy: -29.918
where: short stacking energy: -28.671
Base-Backbone interact. energy: 0.010
local terms energy: -56.130260
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -9.824
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: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -77.978716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978716 (E_RNA)
where:
Base-Base interactions energy: -24.697
where: short stacking energy: -24.697
Base-Backbone interact. energy: 1.715
local terms energy: -54.996914
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -12.286
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: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -92.312812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.312812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.312812 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -24.720
Base-Backbone interact. energy: 0.445
local terms energy: -47.531690
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -75.531908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.531908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.531908 (E_RNA)
where:
Base-Base interactions energy: -22.973
where: short stacking energy: -21.553
Base-Backbone interact. energy: -0.050
local terms energy: -52.508509
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: 0.380
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: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -203.318728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.318728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.318728 (E_RNA)
where:
Base-Base interactions energy: -133.300
where: short stacking energy: -68.408
Base-Backbone interact. energy: 0.599
local terms energy: -70.617703
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -201.733885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.733885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.733885 (E_RNA)
where:
Base-Base interactions energy: -133.464
where: short stacking energy: -58.266
Base-Backbone interact. energy: -0.112
local terms energy: -68.158234
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -198.618359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.618359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.618359 (E_RNA)
where:
Base-Base interactions energy: -131.031
where: short stacking energy: -65.825
Base-Backbone interact. energy: 0.514
local terms energy: -68.101494
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -119.893367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.893367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.893367 (E_RNA)
where:
Base-Base interactions energy: -68.537
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.196
local terms energy: -51.160179
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -5.235
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: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -190.033704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.033704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.033704 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.011
local terms energy: -74.358768
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -90.429416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429416 (E_RNA)
where:
Base-Base interactions energy: -41.709
where: short stacking energy: -38.931
Base-Backbone interact. energy: -0.012
local terms energy: -48.707814
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -90.364847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.364847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.364847 (E_RNA)
where:
Base-Base interactions energy: -41.611
where: short stacking energy: -27.796
Base-Backbone interact. energy: -0.199
local terms energy: -48.554938
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -82.572248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572248 (E_RNA)
where:
Base-Base interactions energy: -34.560
where: short stacking energy: -23.498
Base-Backbone interact. energy: 0.456
local terms energy: -48.468089
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -84.960544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.960544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.960544 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.007
local terms energy: -51.369153
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -75.379237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.379237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.379237 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -23.075
Base-Backbone interact. energy: 0.028
local terms energy: -44.033005
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -206.598998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.598998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.598998 (E_RNA)
where:
Base-Base interactions energy: -132.573
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.006
local terms energy: -74.019470
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -193.909048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.909048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.909048 (E_RNA)
where:
Base-Base interactions energy: -124.755
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.003
local terms energy: -69.150993
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -195.055372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.055372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.055372 (E_RNA)
where:
Base-Base interactions energy: -135.928
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.213
local terms energy: -58.914594
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -140.460721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.460721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.460721 (E_RNA)
where:
Base-Base interactions energy: -77.852
where: short stacking energy: -51.486
Base-Backbone interact. energy: -0.002
local terms energy: -62.606827
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -165.696704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.696704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.696704 (E_RNA)
where:
Base-Base interactions energy: -109.143
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.368
local terms energy: -56.185742
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -89.285868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.285868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.285868 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.185
local terms energy: -53.773175
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -76.641687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.641687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.641687 (E_RNA)
where:
Base-Base interactions energy: -28.286
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.668
local terms energy: -47.687707
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -94.957627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.957627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.957627 (E_RNA)
where:
Base-Base interactions energy: -37.929
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.134
local terms energy: -56.894642
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -73.442430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.442430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.442430 (E_RNA)
where:
Base-Base interactions energy: -22.290
where: short stacking energy: -22.290
Base-Backbone interact. energy: -0.377
local terms energy: -50.775692
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -73.995619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.995619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.995619 (E_RNA)
where:
Base-Base interactions energy: -30.847
where: short stacking energy: -30.847
Base-Backbone interact. energy: 0.315
local terms energy: -43.464290
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -7.200
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: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -210.923813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.923813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.923813 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.530
local terms energy: -71.186785
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -11.186
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: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -217.864853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.864853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.864853 (E_RNA)
where:
Base-Base interactions energy: -142.912
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.000
local terms energy: -74.952881
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -21.035
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: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -194.327769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.327769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.327769 (E_RNA)
where:
Base-Base interactions energy: -120.677
where: short stacking energy: -52.741
Base-Backbone interact. energy: -0.003
local terms energy: -73.647316
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -17.099
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: 371
Temperature: 1.050000
Total energy: -185.424268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.424268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.424268 (E_RNA)
where:
Base-Base interactions energy: -127.614
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.514
local terms energy: -57.296617
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -5.508
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -15.094
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: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -125.340724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.340724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.340724 (E_RNA)
where:
Base-Base interactions energy: -70.749
where: short stacking energy: -44.025
Base-Backbone interact. energy: -0.003
local terms energy: -54.589590
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -4.634
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -95.764675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.764675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.764675 (E_RNA)
where:
Base-Base interactions energy: -48.151
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.250
local terms energy: -47.363560
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -6.940
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: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -93.676957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.676957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.676957 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -19.979
Base-Backbone interact. energy: -0.171
local terms energy: -53.198243
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -72.353338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.353338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.353338 (E_RNA)
where:
Base-Base interactions energy: -31.455
where: short stacking energy: -31.455
Base-Backbone interact. energy: -0.011
local terms energy: -40.887379
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -88.210405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.210405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.210405 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -18.616
Base-Backbone interact. energy: -0.061
local terms energy: -46.116983
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -84.046121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.046121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.046121 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.054
local terms energy: -51.451099
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -2.642
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: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -214.122518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.122518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.122518 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -65.749
Base-Backbone interact. energy: 0.151
local terms energy: -71.843944
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -6.850
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: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -200.714296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.714296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.714296 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.094
local terms energy: -76.744604
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -10.331
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -170.618114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.618114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.618114 (E_RNA)
where:
Base-Base interactions energy: -111.201
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.003
local terms energy: -59.414110
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -196.240672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.240672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.240672 (E_RNA)
where:
Base-Base interactions energy: -130.411
where: short stacking energy: -55.381
Base-Backbone interact. energy: -0.093
local terms energy: -65.736866
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -97.264644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.264644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.264644 (E_RNA)
where:
Base-Base interactions energy: -40.286
where: short stacking energy: -40.286
Base-Backbone interact. energy: -0.007
local terms energy: -56.971142
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -104.048430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.048430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.048430 (E_RNA)
where:
Base-Base interactions energy: -48.271
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.092
local terms energy: -55.685184
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -91.914268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914268 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.066
local terms energy: -57.613924
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -97.771773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.771773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.771773 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -32.823
Base-Backbone interact. energy: -0.129
local terms energy: -59.883237
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -77.909086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.909086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.909086 (E_RNA)
where:
Base-Base interactions energy: -28.733
where: short stacking energy: -23.842
Base-Backbone interact. energy: 0.368
local terms energy: -49.543884
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -75.110321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.110321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.110321 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -30.814
Base-Backbone interact. energy: -0.218
local terms energy: -44.078056
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -210.123399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.123399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.123399 (E_RNA)
where:
Base-Base interactions energy: -137.893
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.346
local terms energy: -71.884780
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -22.140
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: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -195.672356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.672356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.672356 (E_RNA)
where:
Base-Base interactions energy: -125.583
where: short stacking energy: -56.915
Base-Backbone interact. energy: -1.114
local terms energy: -68.974933
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -171.709990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.709990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.709990 (E_RNA)
where:
Base-Base interactions energy: -114.121
where: short stacking energy: -53.573
Base-Backbone interact. energy: 0.380
local terms energy: -57.969326
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -8.641
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: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -193.413847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.413847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.413847 (E_RNA)
where:
Base-Base interactions energy: -128.302
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.135
local terms energy: -64.977115
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -97.158923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.158923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.158923 (E_RNA)
where:
Base-Base interactions energy: -48.394
where: short stacking energy: -27.241
Base-Backbone interact. energy: -0.165
local terms energy: -48.600276
where:
bonds (distance) C4'-P energy: -9.923
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -5.484
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: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -93.120850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.120850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.120850 (E_RNA)
where:
Base-Base interactions energy: -34.282
where: short stacking energy: -33.375
Base-Backbone interact. energy: -0.016
local terms energy: -58.823107
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -87.376007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.376007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.376007 (E_RNA)
where:
Base-Base interactions energy: -36.999
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.181
local terms energy: -50.195992
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -6.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -101.803920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.803920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.803920 (E_RNA)
where:
Base-Base interactions energy: -44.135
where: short stacking energy: -26.178
Base-Backbone interact. energy: -0.087
local terms energy: -57.582543
where:
bonds (distance) C4'-P energy: -7.447
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.112
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: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -70.980508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.980508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.980508 (E_RNA)
where:
Base-Base interactions energy: -25.743
where: short stacking energy: -25.743
Base-Backbone interact. energy: 0.442
local terms energy: -45.678994
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -3.288
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: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -72.149475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.149475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.149475 (E_RNA)
where:
Base-Base interactions energy: -22.571
where: short stacking energy: -17.494
Base-Backbone interact. energy: -0.616
local terms energy: -48.962415
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -198.398918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.398918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.398918 (E_RNA)
where:
Base-Base interactions energy: -129.856
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.019
local terms energy: -68.523562
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -19.422
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: 374
Temperature: 0.950000
Total energy: -202.400384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.400384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.400384 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.114
local terms energy: -67.784699
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -5.301
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: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -202.658223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.658223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.658223 (E_RNA)
where:
Base-Base interactions energy: -128.138
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.092
local terms energy: -74.428823
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -7.524
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: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -180.765417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.765417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.765417 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -54.001
Base-Backbone interact. energy: -1.180
local terms energy: -63.520716
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -95.752993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.752993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.752993 (E_RNA)
where:
Base-Base interactions energy: -41.562
where: short stacking energy: -30.329
Base-Backbone interact. energy: -0.068
local terms energy: -54.123149
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -136.856756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.856756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.856756 (E_RNA)
where:
Base-Base interactions energy: -79.384
where: short stacking energy: -33.893
Base-Backbone interact. energy: 0.329
local terms energy: -57.802015
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -103.171959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.171959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.171959 (E_RNA)
where:
Base-Base interactions energy: -51.085
where: short stacking energy: -33.180
Base-Backbone interact. energy: -1.022
local terms energy: -51.065021
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -93.233284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.233284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.233284 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.128
local terms energy: -54.449617
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -3.542
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: 9, replica: 5
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -77.457849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457849 (E_RNA)
where:
Base-Base interactions energy: -30.166
where: short stacking energy: -20.989
Base-Backbone interact. energy: 0.244
local terms energy: -47.536129
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -3.210
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -75.887906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.887906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.887906 (E_RNA)
where:
Base-Base interactions energy: -29.970
where: short stacking energy: -23.617
Base-Backbone interact. energy: -0.352
local terms energy: -45.565844
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -206.425516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.425516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.425516 (E_RNA)
where:
Base-Base interactions energy: -134.022
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.013
local terms energy: -72.390274
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.210
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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -207.255681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.255681 (E_RNA)
where:
Base-Base interactions energy: -135.989
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.004
local terms energy: -71.262420
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -9.782
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: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -195.137602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.137602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.137602 (E_RNA)
where:
Base-Base interactions energy: -130.726
where: short stacking energy: -57.413
Base-Backbone interact. energy: 0.705
local terms energy: -65.116702
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -176.147695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.147695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.147695 (E_RNA)
where:
Base-Base interactions energy: -113.162
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.034
local terms energy: -62.951824
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -106.828094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.828094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.828094 (E_RNA)
where:
Base-Base interactions energy: -55.353
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.395
local terms energy: -51.079235
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -5.099
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: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -135.730636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.730636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.730636 (E_RNA)
where:
Base-Base interactions energy: -87.873
where: short stacking energy: -37.205
Base-Backbone interact. energy: -0.292
local terms energy: -47.566013
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -93.718389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.718389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.718389 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -37.343
Base-Backbone interact. energy: -0.292
local terms energy: -56.183268
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -91.286341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.286341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.286341 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -25.909
Base-Backbone interact. energy: -1.397
local terms energy: -51.183291
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -10.484
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: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -75.720921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.720921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.720921 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.022
local terms energy: -48.339788
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -87.049189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.049189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.049189 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -26.203
Base-Backbone interact. energy: -0.023
local terms energy: -56.900231
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -212.117410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.117410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.117410 (E_RNA)
where:
Base-Base interactions energy: -142.820
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.008
local terms energy: -69.289211
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -205.745995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745995 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -67.401
Base-Backbone interact. energy: -0.025
local terms energy: -72.880877
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -7.605
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: 376
Temperature: 1.000000
Total energy: -192.161381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.161381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.161381 (E_RNA)
where:
Base-Base interactions energy: -123.253
where: short stacking energy: -52.285
Base-Backbone interact. energy: -0.005
local terms energy: -68.903475
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -19.377
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: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -158.173670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.173670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.173670 (E_RNA)
where:
Base-Base interactions energy: -98.154
where: short stacking energy: -42.798
Base-Backbone interact. energy: -0.062
local terms energy: -59.957232
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -13.561
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: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -145.136200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.136200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.136200 (E_RNA)
where:
Base-Base interactions energy: -83.517
where: short stacking energy: -48.491
Base-Backbone interact. energy: 0.505
local terms energy: -62.123414
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -97.659127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.659127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.659127 (E_RNA)
where:
Base-Base interactions energy: -45.208
where: short stacking energy: -30.326
Base-Backbone interact. energy: -0.190
local terms energy: -52.261541
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -101.287175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.287175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.287175 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.278
local terms energy: -54.516794
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -81.697610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.697610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.697610 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -27.591
Base-Backbone interact. energy: -0.212
local terms energy: -50.309278
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -85.292171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.292171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.292171 (E_RNA)
where:
Base-Base interactions energy: -36.481
where: short stacking energy: -36.481
Base-Backbone interact. energy: -0.013
local terms energy: -48.798437
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -6.247
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -77.717040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717040 (E_RNA)
where:
Base-Base interactions energy: -28.916
where: short stacking energy: -24.113
Base-Backbone interact. energy: 0.057
local terms energy: -48.858065
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -209.158980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.158980 (E_RNA)
where:
Base-Base interactions energy: -137.622
where: short stacking energy: -62.589
Base-Backbone interact. energy: -0.001
local terms energy: -71.536195
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.742
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: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -201.520085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.520085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.520085 (E_RNA)
where:
Base-Base interactions energy: -135.497
where: short stacking energy: -69.642
Base-Backbone interact. energy: -0.099
local terms energy: -65.923890
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -18.862
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: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -204.955963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.955963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.955963 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -66.548
Base-Backbone interact. energy: -0.007
local terms energy: -68.260101
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -161.901839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.901839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.901839 (E_RNA)
where:
Base-Base interactions energy: -100.128
where: short stacking energy: -43.848
Base-Backbone interact. energy: -0.172
local terms energy: -61.601879
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -152.668255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.668255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.668255 (E_RNA)
where:
Base-Base interactions energy: -93.976
where: short stacking energy: -38.981
Base-Backbone interact. energy: -0.010
local terms energy: -58.682732
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -10.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -105.647786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.647786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.647786 (E_RNA)
where:
Base-Base interactions energy: -51.876
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.673
local terms energy: -53.098524
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -5.350
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: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -95.183061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.183061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.183061 (E_RNA)
where:
Base-Base interactions energy: -40.949
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.108
local terms energy: -54.125616
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -82.770049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770049 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -23.841
Base-Backbone interact. energy: -0.150
local terms energy: -50.430200
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -4.404
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: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -77.560942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.560942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.560942 (E_RNA)
where:
Base-Base interactions energy: -24.656
where: short stacking energy: -24.649
Base-Backbone interact. energy: -0.019
local terms energy: -52.886002
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -71.845277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.845277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.845277 (E_RNA)
where:
Base-Base interactions energy: -35.512
where: short stacking energy: -29.854
Base-Backbone interact. energy: -0.092
local terms energy: -36.241332
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -208.418278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.418278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.418278 (E_RNA)
where:
Base-Base interactions energy: -132.391
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.012
local terms energy: -76.015236
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -20.159
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: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -202.733676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.733676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.733676 (E_RNA)
where:
Base-Base interactions energy: -127.680
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.908
local terms energy: -74.146261
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -200.606748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.606748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.606748 (E_RNA)
where:
Base-Base interactions energy: -127.150
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.159
local terms energy: -73.298192
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -10.585
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: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -181.184529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.184529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.184529 (E_RNA)
where:
Base-Base interactions energy: -113.695
where: short stacking energy: -48.616
Base-Backbone interact. energy: 0.014
local terms energy: -67.503315
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -110.540805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.540805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.540805 (E_RNA)
where:
Base-Base interactions energy: -46.907
where: short stacking energy: -44.589
Base-Backbone interact. energy: -0.435
local terms energy: -63.199359
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.532
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: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -150.120105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.120105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.120105 (E_RNA)
where:
Base-Base interactions energy: -88.410
where: short stacking energy: -37.492
Base-Backbone interact. energy: -0.472
local terms energy: -61.238206
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -138.759280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.759280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.759280 (E_RNA)
where:
Base-Base interactions energy: -88.740
where: short stacking energy: -37.265
Base-Backbone interact. energy: -0.098
local terms energy: -49.921654
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -86.304659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.304659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.304659 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -36.207
Base-Backbone interact. energy: -0.121
local terms energy: -49.977055
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -97.932746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.932746 (E_RNA)
where:
Base-Base interactions energy: -43.987
where: short stacking energy: -35.976
Base-Backbone interact. energy: -0.026
local terms energy: -53.919730
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -67.944336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.944336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.944336 (E_RNA)
where:
Base-Base interactions energy: -20.608
where: short stacking energy: -14.256
Base-Backbone interact. energy: 0.340
local terms energy: -47.676332
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -209.924113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.924113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.924113 (E_RNA)
where:
Base-Base interactions energy: -134.539
where: short stacking energy: -63.390
Base-Backbone interact. energy: 0.922
local terms energy: -76.307152
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.266
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: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -200.613765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.613765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.613765 (E_RNA)
where:
Base-Base interactions energy: -128.047
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.389
local terms energy: -72.177323
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -189.815302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.815302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.815302 (E_RNA)
where:
Base-Base interactions energy: -129.429
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.079
local terms energy: -60.308063
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -17.772
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: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -201.610497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.610497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.610497 (E_RNA)
where:
Base-Base interactions energy: -125.467
where: short stacking energy: -57.968
Base-Backbone interact. energy: -0.132
local terms energy: -76.010911
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -122.514520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.514520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.514520 (E_RNA)
where:
Base-Base interactions energy: -63.386
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.621
local terms energy: -58.508365
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -155.598010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.598010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.598010 (E_RNA)
where:
Base-Base interactions energy: -96.238
where: short stacking energy: -48.651
Base-Backbone interact. energy: -0.127
local terms energy: -59.232336
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -142.423785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.423785 (E_RNA)
where:
Base-Base interactions energy: -89.277
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.095
local terms energy: -53.051827
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -95.644469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.644469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.644469 (E_RNA)
where:
Base-Base interactions energy: -39.331
where: short stacking energy: -39.331
Base-Backbone interact. energy: -0.001
local terms energy: -56.313193
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -11.542
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: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -80.305065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.305065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.305065 (E_RNA)
where:
Base-Base interactions energy: -35.334
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.474
local terms energy: -44.497010
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: 0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -85.305384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.305384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.305384 (E_RNA)
where:
Base-Base interactions energy: -28.324
where: short stacking energy: -28.324
Base-Backbone interact. energy: 0.710
local terms energy: -57.691369
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -210.219368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.219368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.219368 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.305
local terms energy: -73.582805
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.646
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: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -204.044304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.044304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.044304 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -63.791
Base-Backbone interact. energy: 0.577
local terms energy: -70.704457
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.619
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: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -186.804345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.804345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.804345 (E_RNA)
where:
Base-Base interactions energy: -118.241
where: short stacking energy: -54.001
Base-Backbone interact. energy: -0.009
local terms energy: -68.554637
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -172.824533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.824533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.824533 (E_RNA)
where:
Base-Base interactions energy: -105.089
where: short stacking energy: -46.151
Base-Backbone interact. energy: -0.101
local terms energy: -67.634861
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -12.098
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: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -171.726767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.726767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.726767 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -51.129
Base-Backbone interact. energy: -0.629
local terms energy: -55.866518
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -119.755346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.755346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.755346 (E_RNA)
where:
Base-Base interactions energy: -61.325
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.065
local terms energy: -58.365914
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -8.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -142.562493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.562493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.562493 (E_RNA)
where:
Base-Base interactions energy: -84.932
where: short stacking energy: -37.984
Base-Backbone interact. energy: -0.182
local terms energy: -57.448260
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -6.714
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: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -79.696052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.696052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.696052 (E_RNA)
where:
Base-Base interactions energy: -30.860
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.061
local terms energy: -48.775289
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -86.469621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.469621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.469621 (E_RNA)
where:
Base-Base interactions energy: -33.720
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.355
local terms energy: -52.393993
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -69.766400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.766400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.766400 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -24.259
Base-Backbone interact. energy: -0.071
local terms energy: -44.735443
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -198.177312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.177312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.177312 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.008
local terms energy: -67.563878
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -193.842543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.842543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.842543 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -51.015
Base-Backbone interact. energy: 1.362
local terms energy: -68.435943
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -201.959178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.959178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.959178 (E_RNA)
where:
Base-Base interactions energy: -130.288
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.101
local terms energy: -71.570439
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -20.204
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: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -188.348334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.348334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.348334 (E_RNA)
where:
Base-Base interactions energy: -116.225
where: short stacking energy: -55.069
Base-Backbone interact. energy: -0.580
local terms energy: -71.543354
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -154.120277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.120277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.120277 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.051
local terms energy: -59.180960
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -11.155
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: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -144.489812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.489812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.489812 (E_RNA)
where:
Base-Base interactions energy: -90.169
where: short stacking energy: -39.758
Base-Backbone interact. energy: -0.532
local terms energy: -53.788790
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -9.716
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -126.721950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.721950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.721950 (E_RNA)
where:
Base-Base interactions energy: -66.404
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.230
local terms energy: -60.088018
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -8.978
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: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -81.875926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.875926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.875926 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -27.342
Base-Backbone interact. energy: 2.597
local terms energy: -52.423436
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -7.890
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: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -72.340667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.340667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.340667 (E_RNA)
where:
Base-Base interactions energy: -25.128
where: short stacking energy: -13.572
Base-Backbone interact. energy: -0.182
local terms energy: -47.030774
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -67.785922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.785922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.785922 (E_RNA)
where:
Base-Base interactions energy: -21.688
where: short stacking energy: -17.692
Base-Backbone interact. energy: -0.108
local terms energy: -45.990047
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -9.613
flat angles P-C4'-P energy: -8.940
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: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -199.347815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.347815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.347815 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.005
local terms energy: -68.834889
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -209.867830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.867830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.867830 (E_RNA)
where:
Base-Base interactions energy: -141.274
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.513
local terms energy: -68.081596
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -5.655
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: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -194.256464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.256464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.256464 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.170
local terms energy: -68.263691
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -200.795044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.795044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.795044 (E_RNA)
where:
Base-Base interactions energy: -131.170
where: short stacking energy: -58.772
Base-Backbone interact. energy: 0.269
local terms energy: -69.894484
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.560
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: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -155.183138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.183138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.183138 (E_RNA)
where:
Base-Base interactions energy: -100.088
where: short stacking energy: -36.362
Base-Backbone interact. energy: 0.586
local terms energy: -55.680774
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -153.742416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.742416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.742416 (E_RNA)
where:
Base-Base interactions energy: -97.555
where: short stacking energy: -39.899
Base-Backbone interact. energy: 2.426
local terms energy: -58.613752
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -101.917029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.917029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.917029 (E_RNA)
where:
Base-Base interactions energy: -44.577
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.656
local terms energy: -56.684177
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -9.296
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: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -99.349088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.349088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.349088 (E_RNA)
where:
Base-Base interactions energy: -54.273
where: short stacking energy: -28.021
Base-Backbone interact. energy: -0.343
local terms energy: -44.732372
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -74.428910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.428910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.428910 (E_RNA)
where:
Base-Base interactions energy: -26.807
where: short stacking energy: -18.374
Base-Backbone interact. energy: 0.430
local terms energy: -48.051819
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -76.833973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.833973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.833973 (E_RNA)
where:
Base-Base interactions energy: -31.538
where: short stacking energy: -31.538
Base-Backbone interact. energy: -0.145
local terms energy: -45.150629
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: 1.871
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: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -202.914308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.914308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.914308 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -70.323
Base-Backbone interact. energy: -0.002
local terms energy: -64.302864
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -4.818
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.207
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: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -203.074339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.074339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.074339 (E_RNA)
where:
Base-Base interactions energy: -128.618
where: short stacking energy: -56.985
Base-Backbone interact. energy: -0.000
local terms energy: -74.456471
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -199.891733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.891733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.891733 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -56.442
Base-Backbone interact. energy: 1.054
local terms energy: -71.303591
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -5.296
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: 383
Temperature: 1.050000
Total energy: -194.006003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.006003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.006003 (E_RNA)
where:
Base-Base interactions energy: -127.114
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.672
local terms energy: -66.220144
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -143.549850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.549850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.549850 (E_RNA)
where:
Base-Base interactions energy: -87.797
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.485
local terms energy: -55.268158
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -4.762
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: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -145.913061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.913061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.913061 (E_RNA)
where:
Base-Base interactions energy: -82.442
where: short stacking energy: -34.464
Base-Backbone interact. energy: 1.070
local terms energy: -64.540596
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -107.273667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.273667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.273667 (E_RNA)
where:
Base-Base interactions energy: -55.620
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.059
local terms energy: -51.594762
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -8.398
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: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -86.986040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.986040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.986040 (E_RNA)
where:
Base-Base interactions energy: -38.569
where: short stacking energy: -14.533
Base-Backbone interact. energy: -0.095
local terms energy: -48.321904
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: 2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -70.250321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.250321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.250321 (E_RNA)
where:
Base-Base interactions energy: -25.342
where: short stacking energy: -16.459
Base-Backbone interact. energy: -1.118
local terms energy: -43.790594
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -77.089403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.089403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.089403 (E_RNA)
where:
Base-Base interactions energy: -23.345
where: short stacking energy: -23.345
Base-Backbone interact. energy: 0.240
local terms energy: -53.984545
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -208.610218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.610218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.610218 (E_RNA)
where:
Base-Base interactions energy: -137.942
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.000
local terms energy: -70.668109
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -18.669
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: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -199.234901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.234901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.234901 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -60.199
Base-Backbone interact. energy: -0.002
local terms energy: -74.038283
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -9.284
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: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -200.277703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.277703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.277703 (E_RNA)
where:
Base-Base interactions energy: -127.400
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.898
local terms energy: -71.979250
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -199.149133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.149133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.149133 (E_RNA)
where:
Base-Base interactions energy: -130.181
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.803
local terms energy: -68.164599
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -20.818
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: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -148.400426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.400426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.400426 (E_RNA)
where:
Base-Base interactions energy: -87.595
where: short stacking energy: -41.227
Base-Backbone interact. energy: 0.290
local terms energy: -61.095084
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -99.551034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.551034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.551034 (E_RNA)
where:
Base-Base interactions energy: -55.847
where: short stacking energy: -30.241
Base-Backbone interact. energy: -0.895
local terms energy: -42.808955
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -84.489528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.489528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.489528 (E_RNA)
where:
Base-Base interactions energy: -31.771
where: short stacking energy: -24.309
Base-Backbone interact. energy: 0.699
local terms energy: -53.418001
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -1.496
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: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -97.158053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.158053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.158053 (E_RNA)
where:
Base-Base interactions energy: -49.202
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.260
local terms energy: -47.695752
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -90.460128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.460128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.460128 (E_RNA)
where:
Base-Base interactions energy: -38.612
where: short stacking energy: -33.697
Base-Backbone interact. energy: -0.179
local terms energy: -51.668728
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -66.566889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.566889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.566889 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -23.895
Base-Backbone interact. energy: -1.658
local terms energy: -40.899920
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -197.008272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.008272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.008272 (E_RNA)
where:
Base-Base interactions energy: -120.852
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.002
local terms energy: -76.154027
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -19.829
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: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -190.285805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.285805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.285805 (E_RNA)
where:
Base-Base interactions energy: -120.760
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.102
local terms energy: -69.423541
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -16.002
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: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -201.164558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.164558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.164558 (E_RNA)
where:
Base-Base interactions energy: -132.416
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.280
local terms energy: -68.468335
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -199.652156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.652156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.652156 (E_RNA)
where:
Base-Base interactions energy: -131.667
where: short stacking energy: -60.129
Base-Backbone interact. energy: 0.123
local terms energy: -68.107921
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -20.647
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: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -156.829924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.829924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.829924 (E_RNA)
where:
Base-Base interactions energy: -95.844
where: short stacking energy: -41.050
Base-Backbone interact. energy: -2.103
local terms energy: -58.883104
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -110.090295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.090295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.090295 (E_RNA)
where:
Base-Base interactions energy: -53.224
where: short stacking energy: -34.359
Base-Backbone interact. energy: -0.815
local terms energy: -56.051864
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -106.028219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.028219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.028219 (E_RNA)
where:
Base-Base interactions energy: -60.668
where: short stacking energy: -34.179
Base-Backbone interact. energy: -0.132
local terms energy: -45.227960
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -83.095819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.095819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.095819 (E_RNA)
where:
Base-Base interactions energy: -32.607
where: short stacking energy: -27.931
Base-Backbone interact. energy: -0.091
local terms energy: -50.397692
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -0.647
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: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -86.593895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.593895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.593895 (E_RNA)
where:
Base-Base interactions energy: -35.510
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.321
local terms energy: -50.763524
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -68.708094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.708094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.708094 (E_RNA)
where:
Base-Base interactions energy: -22.730
where: short stacking energy: -20.668
Base-Backbone interact. energy: -0.109
local terms energy: -45.868428
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -204.926324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.926324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.926324 (E_RNA)
where:
Base-Base interactions energy: -133.264
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.344
local terms energy: -71.318110
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -201.344510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.344510 (E_RNA)
where:
Base-Base interactions energy: -133.520
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.083
local terms energy: -67.741679
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -198.092492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.092492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.092492 (E_RNA)
where:
Base-Base interactions energy: -127.131
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.002
local terms energy: -70.959821
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.278
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -203.044686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.044686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.044686 (E_RNA)
where:
Base-Base interactions energy: -132.042
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.001
local terms energy: -71.001219
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.905
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: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -156.613037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.613037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.613037 (E_RNA)
where:
Base-Base interactions energy: -93.613
where: short stacking energy: -39.657
Base-Backbone interact. energy: -0.283
local terms energy: -62.717162
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -9.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -93.181575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.181575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.181575 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -32.718
Base-Backbone interact. energy: -0.249
local terms energy: -46.415318
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -3.960
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -107.946135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.946135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.946135 (E_RNA)
where:
Base-Base interactions energy: -57.699
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.156
local terms energy: -50.090901
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.804
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: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -84.751626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.751626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.751626 (E_RNA)
where:
Base-Base interactions energy: -42.282
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.166
local terms energy: -42.303197
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: 1.281
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: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -79.111769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111769 (E_RNA)
where:
Base-Base interactions energy: -29.461
where: short stacking energy: -18.066
Base-Backbone interact. energy: -0.051
local terms energy: -49.599535
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.435
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: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -67.377725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.377725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.377725 (E_RNA)
where:
Base-Base interactions energy: -20.895
where: short stacking energy: -13.198
Base-Backbone interact. energy: -0.244
local terms energy: -46.238587
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -2.303
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -200.002783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.002783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.002783 (E_RNA)
where:
Base-Base interactions energy: -127.155
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.004
local terms energy: -72.843283
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -212.425239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.425239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.425239 (E_RNA)
where:
Base-Base interactions energy: -136.955
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.004
local terms energy: -75.465522
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -8.673
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: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -200.928466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.928466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.928466 (E_RNA)
where:
Base-Base interactions energy: -122.914
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.016
local terms energy: -77.998147
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -186.122423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.122423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.122423 (E_RNA)
where:
Base-Base interactions energy: -117.063
where: short stacking energy: -46.851
Base-Backbone interact. energy: -0.005
local terms energy: -69.055404
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -11.647
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: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -170.337788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.337788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.337788 (E_RNA)
where:
Base-Base interactions energy: -100.707
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.645
local terms energy: -68.986232
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -16.724
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: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -95.577032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.577032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.577032 (E_RNA)
where:
Base-Base interactions energy: -52.508
where: short stacking energy: -23.323
Base-Backbone interact. energy: -0.122
local terms energy: -42.946758
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: 4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -102.000562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.000562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.000562 (E_RNA)
where:
Base-Base interactions energy: -56.826
where: short stacking energy: -28.406
Base-Backbone interact. energy: 0.212
local terms energy: -45.387200
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -91.798191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.798191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.798191 (E_RNA)
where:
Base-Base interactions energy: -47.966
where: short stacking energy: -28.820
Base-Backbone interact. energy: 0.679
local terms energy: -44.511578
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -9.588
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -4.528
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: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -73.007508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.007508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.007508 (E_RNA)
where:
Base-Base interactions energy: -27.622
where: short stacking energy: -23.621
Base-Backbone interact. energy: 2.699
local terms energy: -48.084282
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -6.802
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: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -76.055566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.055566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.055566 (E_RNA)
where:
Base-Base interactions energy: -27.905
where: short stacking energy: -27.905
Base-Backbone interact. energy: -0.370
local terms energy: -47.781337
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.840
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: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -208.550484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.550484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.550484 (E_RNA)
where:
Base-Base interactions energy: -136.287
where: short stacking energy: -62.999
Base-Backbone interact. energy: -0.004
local terms energy: -72.259257
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -207.140837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.140837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.140837 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -61.452
Base-Backbone interact. energy: -0.000
local terms energy: -70.191880
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -16.056
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: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -198.496488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.496488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.496488 (E_RNA)
where:
Base-Base interactions energy: -125.568
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.101
local terms energy: -72.826539
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -195.451523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.451523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.451523 (E_RNA)
where:
Base-Base interactions energy: -125.157
where: short stacking energy: -57.864
Base-Backbone interact. energy: -0.001
local terms energy: -70.292745
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -166.525433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.525433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.525433 (E_RNA)
where:
Base-Base interactions energy: -103.485
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.068
local terms energy: -62.972536
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -116.209454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.209454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.209454 (E_RNA)
where:
Base-Base interactions energy: -61.446
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.089
local terms energy: -54.674185
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -87.288252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.288252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.288252 (E_RNA)
where:
Base-Base interactions energy: -31.664
where: short stacking energy: -30.959
Base-Backbone interact. energy: -0.023
local terms energy: -55.601634
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -5.576
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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -92.164786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.164786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.164786 (E_RNA)
where:
Base-Base interactions energy: -43.160
where: short stacking energy: -43.160
Base-Backbone interact. energy: 0.798
local terms energy: -49.803151
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -9.044
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: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -77.427538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.427538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.427538 (E_RNA)
where:
Base-Base interactions energy: -26.488
where: short stacking energy: -25.493
Base-Backbone interact. energy: -0.047
local terms energy: -50.892142
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -6.150
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -69.124932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.124932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.124932 (E_RNA)
where:
Base-Base interactions energy: -21.340
where: short stacking energy: -21.267
Base-Backbone interact. energy: -0.121
local terms energy: -47.663303
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -207.148251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.148251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.148251 (E_RNA)
where:
Base-Base interactions energy: -133.982
where: short stacking energy: -54.040
Base-Backbone interact. energy: -0.075
local terms energy: -73.090776
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.249
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: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -198.503093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.503093 (E_RNA)
where:
Base-Base interactions energy: -129.254
where: short stacking energy: -65.710
Base-Backbone interact. energy: 0.055
local terms energy: -69.303348
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -199.528273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528273 (E_RNA)
where:
Base-Base interactions energy: -129.919
where: short stacking energy: -59.889
Base-Backbone interact. energy: -0.004
local terms energy: -69.605344
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -191.072096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.072096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.072096 (E_RNA)
where:
Base-Base interactions energy: -128.943
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.795
local terms energy: -61.333772
where:
bonds (distance) C4'-P energy: -7.404
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.724
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -176.062323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.062323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.062323 (E_RNA)
where:
Base-Base interactions energy: -113.508
where: short stacking energy: -48.345
Base-Backbone interact. energy: -0.235
local terms energy: -62.319664
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -117.664597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.664597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.664597 (E_RNA)
where:
Base-Base interactions energy: -64.254
where: short stacking energy: -36.091
Base-Backbone interact. energy: -0.040
local terms energy: -53.370585
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -1.299
tors. eta vs tors. theta energy: -7.767
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: 389
Temperature: 1.200000
Total energy: -79.885584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.885584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.885584 (E_RNA)
where:
Base-Base interactions energy: -27.879
where: short stacking energy: -23.049
Base-Backbone interact. energy: -0.277
local terms energy: -51.729249
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -1.343
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: 389
Temperature: 1.250000
Total energy: -83.448439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.448439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.448439 (E_RNA)
where:
Base-Base interactions energy: -35.481
where: short stacking energy: -35.481
Base-Backbone interact. energy: -0.070
local terms energy: -47.897095
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -2.167
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: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -75.116392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.116392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.116392 (E_RNA)
where:
Base-Base interactions energy: -25.300
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.190
local terms energy: -49.627033
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -71.466181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.466181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.466181 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.104
local terms energy: -42.628253
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: 0.614
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: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -211.230976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.230976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.230976 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.165
local terms energy: -73.337054
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -18.063
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -197.261542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.261542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.261542 (E_RNA)
where:
Base-Base interactions energy: -129.408
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.016
local terms energy: -67.838144
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -194.191855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.191855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.191855 (E_RNA)
where:
Base-Base interactions energy: -122.839
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.004
local terms energy: -71.349547
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -16.002
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: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -191.521848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.521848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.521848 (E_RNA)
where:
Base-Base interactions energy: -115.395
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.002
local terms energy: -76.125015
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.727
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -159.731191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.731191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.731191 (E_RNA)
where:
Base-Base interactions energy: -100.199
where: short stacking energy: -42.487
Base-Backbone interact. energy: -1.021
local terms energy: -58.510917
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -5.806
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: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -97.728324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.728324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.728324 (E_RNA)
where:
Base-Base interactions energy: -39.573
where: short stacking energy: -39.573
Base-Backbone interact. energy: 1.354
local terms energy: -59.508447
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -89.937407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.937407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.937407 (E_RNA)
where:
Base-Base interactions energy: -39.077
where: short stacking energy: -39.077
Base-Backbone interact. energy: 2.143
local terms energy: -53.003704
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -11.584
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -82.108231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.108231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.108231 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.913
local terms energy: -46.390283
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -8.327
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -2.954
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: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -76.350236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.350236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.350236 (E_RNA)
where:
Base-Base interactions energy: -29.154
where: short stacking energy: -29.154
Base-Backbone interact. energy: -0.038
local terms energy: -47.158390
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -81.035470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035470 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.067
local terms energy: -45.852062
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -7.813
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -208.896628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.896628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.896628 (E_RNA)
where:
Base-Base interactions energy: -138.100
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.087
local terms energy: -70.709406
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -204.884982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.884982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.884982 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.003
local terms energy: -71.993849
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -185.002801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.002801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.002801 (E_RNA)
where:
Base-Base interactions energy: -119.869
where: short stacking energy: -55.804
Base-Backbone interact. energy: 0.651
local terms energy: -65.784301
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -178.055580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055580 (E_RNA)
where:
Base-Base interactions energy: -111.116
where: short stacking energy: -52.664
Base-Backbone interact. energy: -0.002
local terms energy: -66.937692
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -165.970983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.970983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.970983 (E_RNA)
where:
Base-Base interactions energy: -96.868
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.638
local terms energy: -68.465734
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -89.797493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797493 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -32.426
Base-Backbone interact. energy: -0.950
local terms energy: -53.011267
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -86.208711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.208711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.208711 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -28.466
Base-Backbone interact. energy: -0.191
local terms energy: -46.512299
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -80.879492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.879492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.879492 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -31.496
Base-Backbone interact. energy: -0.434
local terms energy: -48.642896
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -1.708
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: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -132.079557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.079557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.079557 (E_RNA)
where:
Base-Base interactions energy: -68.544
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.166
local terms energy: -63.369822
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -87.593224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.593224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.593224 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -26.184
Base-Backbone interact. energy: 0.398
local terms energy: -45.020536
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -10.152
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: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -201.792167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.792167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.792167 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.280
local terms energy: -71.103621
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.135
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: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -207.641622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.641622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.641622 (E_RNA)
where:
Base-Base interactions energy: -139.611
where: short stacking energy: -55.278
Base-Backbone interact. energy: -0.035
local terms energy: -67.995791
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -195.345399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.345399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.345399 (E_RNA)
where:
Base-Base interactions energy: -131.360
where: short stacking energy: -52.180
Base-Backbone interact. energy: 1.563
local terms energy: -65.548408
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -151.639526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.639526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.639526 (E_RNA)
where:
Base-Base interactions energy: -89.409
where: short stacking energy: -43.975
Base-Backbone interact. energy: 0.019
local terms energy: -62.249406
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -154.281220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.281220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.281220 (E_RNA)
where:
Base-Base interactions energy: -96.249
where: short stacking energy: -37.643
Base-Backbone interact. energy: -0.173
local terms energy: -57.859518
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -85.450601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450601 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -27.723
Base-Backbone interact. energy: -0.415
local terms energy: -53.415622
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -2.930
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -86.311392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311392 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -23.139
Base-Backbone interact. energy: -0.040
local terms energy: -54.422759
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -79.998781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.998781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.998781 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.065
local terms energy: -49.860605
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -6.289
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -84.216701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216701 (E_RNA)
where:
Base-Base interactions energy: -32.825
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.153
local terms energy: -51.238857
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -5.586
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -91.593727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.593727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.593727 (E_RNA)
where:
Base-Base interactions energy: -42.916
where: short stacking energy: -20.277
Base-Backbone interact. energy: -0.113
local terms energy: -48.565509
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -202.514307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.514307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.514307 (E_RNA)
where:
Base-Base interactions energy: -129.139
where: short stacking energy: -51.984
Base-Backbone interact. energy: -0.296
local terms energy: -73.079609
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -203.343380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.343380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.343380 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -63.880
Base-Backbone interact. energy: 1.086
local terms energy: -67.507022
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -13.788
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: 393
Temperature: 1.000000
Total energy: -185.931735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.931735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.931735 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.001
local terms energy: -67.666757
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -161.079410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.079410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.079410 (E_RNA)
where:
Base-Base interactions energy: -101.757
where: short stacking energy: -44.647
Base-Backbone interact. energy: -0.083
local terms energy: -59.239981
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -10.087
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: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -142.591027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.591027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.591027 (E_RNA)
where:
Base-Base interactions energy: -81.750
where: short stacking energy: -38.157
Base-Backbone interact. energy: -0.290
local terms energy: -60.550894
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -102.331924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.331924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.331924 (E_RNA)
where:
Base-Base interactions energy: -46.527
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.147
local terms energy: -55.658753
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -89.347586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347586 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.206
local terms energy: -57.507525
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -79.942334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.942334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.942334 (E_RNA)
where:
Base-Base interactions energy: -40.080
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.196
local terms energy: -39.666658
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -6.084
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -70.818544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.818544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.818544 (E_RNA)
where:
Base-Base interactions energy: -21.360
where: short stacking energy: -21.360
Base-Backbone interact. energy: -0.384
local terms energy: -49.074129
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -78.056726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.056726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.056726 (E_RNA)
where:
Base-Base interactions energy: -21.884
where: short stacking energy: -21.748
Base-Backbone interact. energy: 0.729
local terms energy: -56.902072
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -205.008630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.008630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.008630 (E_RNA)
where:
Base-Base interactions energy: -136.933
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.105
local terms energy: -67.970601
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -195.833950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.833950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.833950 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.004
local terms energy: -70.630560
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -191.458249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.458249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.458249 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -53.079
Base-Backbone interact. energy: -0.125
local terms energy: -69.063045
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -177.319247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.319247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.319247 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.234
local terms energy: -68.053218
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -96.226565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.226565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.226565 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -39.534
Base-Backbone interact. energy: -0.076
local terms energy: -56.616801
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -146.235350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.235350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.235350 (E_RNA)
where:
Base-Base interactions energy: -82.899
where: short stacking energy: -43.761
Base-Backbone interact. energy: -0.139
local terms energy: -63.197038
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -93.011666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.011666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.011666 (E_RNA)
where:
Base-Base interactions energy: -43.814
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.697
local terms energy: -48.499897
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -93.951860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.951860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.951860 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.016
local terms energy: -53.721677
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -6.174
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: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -86.028636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028636 (E_RNA)
where:
Base-Base interactions energy: -40.177
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.652
local terms energy: -45.200153
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -1.045
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: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -69.935563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.935563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.935563 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -28.607
Base-Backbone interact. energy: -0.471
local terms energy: -37.730916
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -3.262
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -207.845423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.845423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.845423 (E_RNA)
where:
Base-Base interactions energy: -138.897
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.062
local terms energy: -68.886300
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -205.668537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.668537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.668537 (E_RNA)
where:
Base-Base interactions energy: -138.594
where: short stacking energy: -63.133
Base-Backbone interact. energy: -0.084
local terms energy: -66.989828
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -6.998
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: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -196.017341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.017341 (E_RNA)
where:
Base-Base interactions energy: -128.327
where: short stacking energy: -50.738
Base-Backbone interact. energy: -0.012
local terms energy: -67.678454
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -180.520983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.520983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.520983 (E_RNA)
where:
Base-Base interactions energy: -113.727
where: short stacking energy: -46.735
Base-Backbone interact. energy: -0.591
local terms energy: -66.202842
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -102.448835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.448835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.448835 (E_RNA)
where:
Base-Base interactions energy: -43.028
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.075
local terms energy: -59.345838
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -9.422
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: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -152.530964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.530964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.530964 (E_RNA)
where:
Base-Base interactions energy: -98.570
where: short stacking energy: -49.716
Base-Backbone interact. energy: 0.625
local terms energy: -54.585568
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -86.992588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.992588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.992588 (E_RNA)
where:
Base-Base interactions energy: -31.665
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.999
local terms energy: -54.329020
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -85.222357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222357 (E_RNA)
where:
Base-Base interactions energy: -29.132
where: short stacking energy: -24.988
Base-Backbone interact. energy: -0.045
local terms energy: -56.045000
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -10.249
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: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -75.258906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.258906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.258906 (E_RNA)
where:
Base-Base interactions energy: -19.497
where: short stacking energy: -19.497
Base-Backbone interact. energy: -0.231
local terms energy: -55.530504
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -63.535325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.535325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.535325 (E_RNA)
where:
Base-Base interactions energy: -13.759
where: short stacking energy: -13.759
Base-Backbone interact. energy: -0.070
local terms energy: -49.706428
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -3.462
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: 396
Temperature: 0.900000
Total energy: -210.760401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760401 (E_RNA)
where:
Base-Base interactions energy: -143.677
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.169
local terms energy: -66.914615
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -204.933703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.933703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.933703 (E_RNA)
where:
Base-Base interactions energy: -137.990
where: short stacking energy: -63.247
Base-Backbone interact. energy: -0.091
local terms energy: -66.852928
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -186.983676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.983676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.983676 (E_RNA)
where:
Base-Base interactions energy: -117.825
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.014
local terms energy: -69.145018
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -11.444
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: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -171.941084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.941084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.941084 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -48.604
Base-Backbone interact. energy: 0.579
local terms energy: -65.598631
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -142.881317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.881317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.881317 (E_RNA)
where:
Base-Base interactions energy: -85.127
where: short stacking energy: -40.641
Base-Backbone interact. energy: -0.353
local terms energy: -57.401005
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.445
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: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -98.132553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.132553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.132553 (E_RNA)
where:
Base-Base interactions energy: -44.458
where: short stacking energy: -29.479
Base-Backbone interact. energy: -0.157
local terms energy: -53.517796
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -7.853
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: 396
Temperature: 1.200000
Total energy: -90.515950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515950 (E_RNA)
where:
Base-Base interactions energy: -44.431
where: short stacking energy: -29.770
Base-Backbone interact. energy: 0.089
local terms energy: -46.173946
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -8.681
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: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -90.852114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.852114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.852114 (E_RNA)
where:
Base-Base interactions energy: -37.971
where: short stacking energy: -35.310
Base-Backbone interact. energy: -0.166
local terms energy: -52.714447
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.936
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: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -82.694685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.694685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.694685 (E_RNA)
where:
Base-Base interactions energy: -33.060
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.276
local terms energy: -49.358008
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -3.985
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: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -91.265367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265367 (E_RNA)
where:
Base-Base interactions energy: -34.348
where: short stacking energy: -26.491
Base-Backbone interact. energy: -0.039
local terms energy: -56.878250
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -6.518
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: 397
Temperature: 0.900000
Total energy: -202.628330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.628330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.628330 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -49.548
Base-Backbone interact. energy: -0.286
local terms energy: -72.056459
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -203.528857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.528857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.528857 (E_RNA)
where:
Base-Base interactions energy: -135.240
where: short stacking energy: -62.698
Base-Backbone interact. energy: 0.696
local terms energy: -68.985280
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -19.096
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: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -196.530647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.530647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.530647 (E_RNA)
where:
Base-Base interactions energy: -130.834
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.133
local terms energy: -65.563682
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -148.599959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.599959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.599959 (E_RNA)
where:
Base-Base interactions energy: -91.103
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.214
local terms energy: -57.283227
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -162.154976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.154976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.154976 (E_RNA)
where:
Base-Base interactions energy: -95.819
where: short stacking energy: -45.942
Base-Backbone interact. energy: -0.007
local terms energy: -66.329247
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -13.042
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: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -91.685240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685240 (E_RNA)
where:
Base-Base interactions energy: -34.343
where: short stacking energy: -31.428
Base-Backbone interact. energy: -0.179
local terms energy: -57.163189
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -4.954
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: 397
Temperature: 1.200000
Total energy: -90.947573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.947573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.947573 (E_RNA)
where:
Base-Base interactions energy: -49.034
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.146
local terms energy: -41.766931
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -81.147154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.147154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.147154 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -30.670
Base-Backbone interact. energy: 0.007
local terms energy: -49.364806
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -5.583
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: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -72.716021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.716021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.716021 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.098
local terms energy: -40.341999
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -3.154
flat angles P-C4'-P energy: -3.058
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: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -93.838105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.838105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.838105 (E_RNA)
where:
Base-Base interactions energy: -41.006
where: short stacking energy: -31.599
Base-Backbone interact. energy: -0.163
local terms energy: -52.669394
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -204.002850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.002850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.002850 (E_RNA)
where:
Base-Base interactions energy: -136.562
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.004
local terms energy: -67.436925
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.689
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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -199.513992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.513992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.513992 (E_RNA)
where:
Base-Base interactions energy: -132.016
where: short stacking energy: -52.925
Base-Backbone interact. energy: -0.085
local terms energy: -67.412762
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -14.913
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -203.663164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.663164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.663164 (E_RNA)
where:
Base-Base interactions energy: -132.663
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.008
local terms energy: -70.992529
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -9.979
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: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -175.944263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944263 (E_RNA)
where:
Base-Base interactions energy: -106.829
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.363
local terms energy: -68.752243
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -174.387398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.387398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.387398 (E_RNA)
where:
Base-Base interactions energy: -113.782
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.958
local terms energy: -59.647210
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -3.322
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -90.530417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.530417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.530417 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.078
local terms energy: -53.376153
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -91.909306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.909306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.909306 (E_RNA)
where:
Base-Base interactions energy: -44.887
where: short stacking energy: -33.025
Base-Backbone interact. energy: -0.008
local terms energy: -47.014823
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -72.817154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.817154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.817154 (E_RNA)
where:
Base-Base interactions energy: -25.602
where: short stacking energy: -25.006
Base-Backbone interact. energy: 0.095
local terms energy: -47.309710
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -1.420
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: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -69.123926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.123926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.123926 (E_RNA)
where:
Base-Base interactions energy: -20.491
where: short stacking energy: -20.491
Base-Backbone interact. energy: -0.526
local terms energy: -48.106710
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: 3.314
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: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -73.031273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.031273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.031273 (E_RNA)
where:
Base-Base interactions energy: -24.775
where: short stacking energy: -24.775
Base-Backbone interact. energy: -0.167
local terms energy: -48.089171
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -3.477
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: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -207.627370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.627370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.627370 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.056
local terms energy: -75.639421
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -21.356
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: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -208.408738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.408738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.408738 (E_RNA)
where:
Base-Base interactions energy: -140.126
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.655
local terms energy: -67.627482
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -199.333558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.333558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.333558 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.001
local terms energy: -69.244891
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -9.146
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -174.756939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.756939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.756939 (E_RNA)
where:
Base-Base interactions energy: -115.083
where: short stacking energy: -51.948
Base-Backbone interact. energy: -0.213
local terms energy: -59.460789
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -169.148877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.148877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.148877 (E_RNA)
where:
Base-Base interactions energy: -107.660
where: short stacking energy: -44.125
Base-Backbone interact. energy: 0.124
local terms energy: -61.613082
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -105.002553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.002553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.002553 (E_RNA)
where:
Base-Base interactions energy: -53.171
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.060
local terms energy: -51.770918
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -5.313
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: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -99.429745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.429745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.429745 (E_RNA)
where:
Base-Base interactions energy: -51.641
where: short stacking energy: -23.303
Base-Backbone interact. energy: -0.471
local terms energy: -47.317843
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -5.599
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: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -77.378056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.378056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.378056 (E_RNA)
where:
Base-Base interactions energy: -27.399
where: short stacking energy: -25.793
Base-Backbone interact. energy: -0.154
local terms energy: -49.824435
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -80.002324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.002324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.002324 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -26.817
Base-Backbone interact. energy: -0.173
local terms energy: -48.708563
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -6.609
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: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -74.943311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943311 (E_RNA)
where:
Base-Base interactions energy: -27.838
where: short stacking energy: -27.838
Base-Backbone interact. energy: 0.653
local terms energy: -47.758957
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -9.096
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: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -200.888776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.888776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.888776 (E_RNA)
where:
Base-Base interactions energy: -131.570
where: short stacking energy: -60.701
Base-Backbone interact. energy: 0.201
local terms energy: -69.520251
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -201.779540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.779540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.779540 (E_RNA)
where:
Base-Base interactions energy: -130.779
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.041
local terms energy: -70.959526
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.952
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: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -195.329094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.329094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.329094 (E_RNA)
where:
Base-Base interactions energy: -127.150
where: short stacking energy: -51.313
Base-Backbone interact. energy: 0.458
local terms energy: -68.637022
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -173.383487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.383487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.383487 (E_RNA)
where:
Base-Base interactions energy: -110.597
where: short stacking energy: -54.352
Base-Backbone interact. energy: -0.003
local terms energy: -62.783532
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -8.550
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: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -148.763468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.763468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.763468 (E_RNA)
where:
Base-Base interactions energy: -88.720
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.580
local terms energy: -59.463711
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -6.926
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: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -104.820768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.820768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.820768 (E_RNA)
where:
Base-Base interactions energy: -47.922
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.233
local terms energy: -56.666113
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -6.561
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: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -115.575077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.575077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.575077 (E_RNA)
where:
Base-Base interactions energy: -64.463
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.250
local terms energy: -50.861797
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -3.129
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: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -93.215996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.215996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.215996 (E_RNA)
where:
Base-Base interactions energy: -51.439
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.161
local terms energy: -41.616040
where:
bonds (distance) C4'-P energy: -4.367
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -4.772
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: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -96.427606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.427606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.427606 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -40.821
Base-Backbone interact. energy: -0.024
local terms energy: -55.581993
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -8.937
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -76.224436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.224436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.224436 (E_RNA)
where:
Base-Base interactions energy: -25.150
where: short stacking energy: -25.150
Base-Backbone interact. energy: -0.034
local terms energy: -51.039843
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -202.188760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.188760 (E_RNA)
where:
Base-Base interactions energy: -137.567
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.350
local terms energy: -64.272428
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -4.508
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -208.704801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.704801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.704801 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.001
local terms energy: -69.203506
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -18.695
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: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -188.080123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.080123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.080123 (E_RNA)
where:
Base-Base interactions energy: -131.394
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.196
local terms energy: -56.490300
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -13.533
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: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -180.986229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.986229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.986229 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.378
local terms energy: -62.450132
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -154.843996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.843996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.843996 (E_RNA)
where:
Base-Base interactions energy: -85.525
where: short stacking energy: -46.427
Base-Backbone interact. energy: -0.043
local terms energy: -69.275691
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -95.969061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.969061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.969061 (E_RNA)
where:
Base-Base interactions energy: -43.696
where: short stacking energy: -23.966
Base-Backbone interact. energy: -0.069
local terms energy: -52.203989
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -106.011982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.011982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.011982 (E_RNA)
where:
Base-Base interactions energy: -58.652
where: short stacking energy: -32.841
Base-Backbone interact. energy: -0.502
local terms energy: -46.858295
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -87.404385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404385 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.096
local terms energy: -56.524694
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -13.239
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: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -73.160114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.160114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.160114 (E_RNA)
where:
Base-Base interactions energy: -31.618
where: short stacking energy: -31.618
Base-Backbone interact. energy: -0.108
local terms energy: -41.434766
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -3.056
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: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -72.209915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.209915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.209915 (E_RNA)
where:
Base-Base interactions energy: -21.554
where: short stacking energy: -15.865
Base-Backbone interact. energy: 0.558
local terms energy: -51.214551
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.700
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: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -216.094920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.094920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.094920 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.008
local terms energy: -73.639595
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -203.656670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.656670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.656670 (E_RNA)
where:
Base-Base interactions energy: -127.357
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.269
local terms energy: -76.031102
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -211.077060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.077060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.077060 (E_RNA)
where:
Base-Base interactions energy: -139.228
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.062
local terms energy: -71.786977
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -17.551
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: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -174.487210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.487210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.487210 (E_RNA)
where:
Base-Base interactions energy: -123.371
where: short stacking energy: -48.903
Base-Backbone interact. energy: -0.136
local terms energy: -50.980309
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -6.795
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: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -151.098578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.098578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.098578 (E_RNA)
where:
Base-Base interactions energy: -92.762
where: short stacking energy: -52.156
Base-Backbone interact. energy: -0.130
local terms energy: -58.207238
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.355
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: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -99.213750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.213750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.213750 (E_RNA)
where:
Base-Base interactions energy: -48.742
where: short stacking energy: -32.552
Base-Backbone interact. energy: -0.402
local terms energy: -50.070300
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -90.494790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.494790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.494790 (E_RNA)
where:
Base-Base interactions energy: -36.867
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.028
local terms energy: -53.599683
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -10.270
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: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -83.800872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800872 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.841
local terms energy: -40.617008
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -8.531
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -2.937
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: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -81.450294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.450294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.450294 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.261
local terms energy: -48.624926
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -73.291560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.291560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.291560 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -25.355
Base-Backbone interact. energy: 0.498
local terms energy: -43.745557
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: 0.750
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: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -198.149311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.149311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.149311 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.000
local terms energy: -76.977827
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -192.393323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.393323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.393323 (E_RNA)
where:
Base-Base interactions energy: -123.937
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.055
local terms energy: -68.401900
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -199.838371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.838371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.838371 (E_RNA)
where:
Base-Base interactions energy: -130.192
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.389
local terms energy: -69.258100
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -176.682639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.682639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.682639 (E_RNA)
where:
Base-Base interactions energy: -114.212
where: short stacking energy: -52.982
Base-Backbone interact. energy: 0.642
local terms energy: -63.113084
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.504
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: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -127.058003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.058003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.058003 (E_RNA)
where:
Base-Base interactions energy: -76.605
where: short stacking energy: -45.388
Base-Backbone interact. energy: 0.234
local terms energy: -50.687425
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -107.612645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.612645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.612645 (E_RNA)
where:
Base-Base interactions energy: -58.360
where: short stacking energy: -35.313
Base-Backbone interact. energy: -0.869
local terms energy: -48.383315
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -0.685
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: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -88.126141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.126141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.126141 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -33.863
Base-Backbone interact. energy: 0.739
local terms energy: -49.484952
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.114
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: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -97.346303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.346303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.346303 (E_RNA)
where:
Base-Base interactions energy: -37.464
where: short stacking energy: -26.817
Base-Backbone interact. energy: -0.089
local terms energy: -59.793450
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -88.759271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.759271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.759271 (E_RNA)
where:
Base-Base interactions energy: -47.151
where: short stacking energy: -23.039
Base-Backbone interact. energy: -0.031
local terms energy: -41.576595
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -1.603
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: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -71.439347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.439347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.439347 (E_RNA)
where:
Base-Base interactions energy: -16.513
where: short stacking energy: -15.279
Base-Backbone interact. energy: 0.214
local terms energy: -55.140958
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: 0.806
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: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -205.084852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.084852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.084852 (E_RNA)
where:
Base-Base interactions energy: -137.494
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.002
local terms energy: -67.589109
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -4.896
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: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -199.127636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.127636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.127636 (E_RNA)
where:
Base-Base interactions energy: -128.099
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.236
local terms energy: -70.792705
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -200.285860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.285860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.285860 (E_RNA)
where:
Base-Base interactions energy: -128.486
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.120
local terms energy: -71.680059
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -176.283855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.283855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.283855 (E_RNA)
where:
Base-Base interactions energy: -115.115
where: short stacking energy: -46.941
Base-Backbone interact. energy: -0.639
local terms energy: -60.530357
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -11.796
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: 404
Temperature: 1.100000
Total energy: -130.152416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.152416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.152416 (E_RNA)
where:
Base-Base interactions energy: -70.831
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.765
local terms energy: -58.555754
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.660
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: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -104.624921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.624921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.624921 (E_RNA)
where:
Base-Base interactions energy: -54.344
where: short stacking energy: -32.708
Base-Backbone interact. energy: -0.209
local terms energy: -50.071567
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -6.215
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.707
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: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -78.487035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.487035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.487035 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -29.925
Base-Backbone interact. energy: 0.865
local terms energy: -39.732104
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: 3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -87.477725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477725 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -37.134
Base-Backbone interact. energy: -0.111
local terms energy: -50.232579
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -83.459870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459870 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.140
local terms energy: -50.167875
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -6.689
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: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -75.322625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.322625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.322625 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -18.623
Base-Backbone interact. energy: -0.153
local terms energy: -34.370379
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -8.798
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -201.820893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.820893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.820893 (E_RNA)
where:
Base-Base interactions energy: -128.440
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.008
local terms energy: -73.372522
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -192.963937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.963937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.963937 (E_RNA)
where:
Base-Base interactions energy: -122.409
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.022
local terms energy: -70.532371
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -11.843
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -197.554228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.554228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.554228 (E_RNA)
where:
Base-Base interactions energy: -130.999
where: short stacking energy: -56.670
Base-Backbone interact. energy: 1.021
local terms energy: -67.576927
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -151.147646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.147646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.147646 (E_RNA)
where:
Base-Base interactions energy: -93.041
where: short stacking energy: -39.373
Base-Backbone interact. energy: -0.117
local terms energy: -57.989185
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -10.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -177.158607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.158607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.158607 (E_RNA)
where:
Base-Base interactions energy: -113.396
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.160
local terms energy: -63.602543
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -18.754
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: 405
Temperature: 1.150000
Total energy: -94.288127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.288127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.288127 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -42.620
Base-Backbone interact. energy: -0.152
local terms energy: -50.363859
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -108.505247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.505247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.505247 (E_RNA)
where:
Base-Base interactions energy: -62.681
where: short stacking energy: -37.245
Base-Backbone interact. energy: -0.054
local terms energy: -45.770183
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -9.625
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -83.246309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.246309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.246309 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -35.545
Base-Backbone interact. energy: -0.007
local terms energy: -47.694127
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -5.781
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: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -85.696951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.696951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.696951 (E_RNA)
where:
Base-Base interactions energy: -33.881
where: short stacking energy: -26.841
Base-Backbone interact. energy: -0.031
local terms energy: -51.785712
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -71.546847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.546847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.546847 (E_RNA)
where:
Base-Base interactions energy: -24.765
where: short stacking energy: -24.765
Base-Backbone interact. energy: -0.166
local terms energy: -46.615739
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -8.779
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: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -206.918886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.918886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.918886 (E_RNA)
where:
Base-Base interactions energy: -134.607
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.063
local terms energy: -72.249361
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -6.386
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: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -197.649529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.649529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.649529 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.878
local terms energy: -67.137544
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -166.250856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.250856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.250856 (E_RNA)
where:
Base-Base interactions energy: -97.456
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.220
local terms energy: -68.574946
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.311
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: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -188.848407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.848407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.848407 (E_RNA)
where:
Base-Base interactions energy: -122.900
where: short stacking energy: -56.186
Base-Backbone interact. energy: -0.789
local terms energy: -65.159517
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -185.902510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.902510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.902510 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -50.609
Base-Backbone interact. energy: -0.209
local terms energy: -67.388406
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -84.787641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.787641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.787641 (E_RNA)
where:
Base-Base interactions energy: -33.157
where: short stacking energy: -17.278
Base-Backbone interact. energy: -0.138
local terms energy: -51.492418
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -126.883357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.883357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.883357 (E_RNA)
where:
Base-Base interactions energy: -68.388
where: short stacking energy: -37.541
Base-Backbone interact. energy: -1.232
local terms energy: -57.263520
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -111.535548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.535548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.535548 (E_RNA)
where:
Base-Base interactions energy: -56.103
where: short stacking energy: -47.385
Base-Backbone interact. energy: -0.098
local terms energy: -55.333878
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -76.759077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.759077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.759077 (E_RNA)
where:
Base-Base interactions energy: -26.706
where: short stacking energy: -21.808
Base-Backbone interact. energy: -0.007
local terms energy: -50.046142
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -80.856357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.856357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.856357 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -32.284
Base-Backbone interact. energy: -0.376
local terms energy: -48.196698
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -208.553258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.553258 (E_RNA)
where:
Base-Base interactions energy: -138.476
where: short stacking energy: -59.635
Base-Backbone interact. energy: 0.579
local terms energy: -70.656394
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.652
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -198.220094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.220094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.220094 (E_RNA)
where:
Base-Base interactions energy: -127.282
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.101
local terms energy: -70.837198
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.244
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: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -182.219169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.219169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.219169 (E_RNA)
where:
Base-Base interactions energy: -118.524
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.006
local terms energy: -63.689535
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -199.574792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.574792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.574792 (E_RNA)
where:
Base-Base interactions energy: -128.552
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.352
local terms energy: -70.670902
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -163.191652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.191652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.191652 (E_RNA)
where:
Base-Base interactions energy: -107.372
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.131
local terms energy: -55.689120
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -8.377
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -115.104452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.104452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.104452 (E_RNA)
where:
Base-Base interactions energy: -67.664
where: short stacking energy: -37.758
Base-Backbone interact. energy: -0.284
local terms energy: -47.156969
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -81.241040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.241040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.241040 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -25.346
Base-Backbone interact. energy: 0.045
local terms energy: -53.987614
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -11.653
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: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -84.108255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.108255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.108255 (E_RNA)
where:
Base-Base interactions energy: -41.450
where: short stacking energy: -41.450
Base-Backbone interact. energy: -0.709
local terms energy: -41.948584
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -3.456
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: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -75.320716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.320716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.320716 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -25.236
Base-Backbone interact. energy: -0.431
local terms energy: -43.778173
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: 0.810
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -81.661588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.661588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.661588 (E_RNA)
where:
Base-Base interactions energy: -29.078
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.209
local terms energy: -52.374866
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -6.504
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: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -209.040746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.040746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040746 (E_RNA)
where:
Base-Base interactions energy: -132.913
where: short stacking energy: -63.034
Base-Backbone interact. energy: -0.222
local terms energy: -75.906406
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -9.794
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: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -206.331056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.331056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.331056 (E_RNA)
where:
Base-Base interactions energy: -133.549
where: short stacking energy: -63.774
Base-Backbone interact. energy: -0.009
local terms energy: -72.772662
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -189.030857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.030857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.030857 (E_RNA)
where:
Base-Base interactions energy: -116.591
where: short stacking energy: -57.213
Base-Backbone interact. energy: 0.200
local terms energy: -72.640451
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -5.938
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: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -171.373201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.373201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.373201 (E_RNA)
where:
Base-Base interactions energy: -106.138
where: short stacking energy: -49.772
Base-Backbone interact. energy: -0.315
local terms energy: -64.920703
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -15.391
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: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -159.014768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.014768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.014768 (E_RNA)
where:
Base-Base interactions energy: -91.996
where: short stacking energy: -52.885
Base-Backbone interact. energy: -0.055
local terms energy: -66.963583
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -135.923636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.923636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.923636 (E_RNA)
where:
Base-Base interactions energy: -81.801
where: short stacking energy: -44.913
Base-Backbone interact. energy: -0.046
local terms energy: -54.076419
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.531
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: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -86.052941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.052941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.052941 (E_RNA)
where:
Base-Base interactions energy: -37.393
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.129
local terms energy: -48.530928
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -87.954438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.954438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.954438 (E_RNA)
where:
Base-Base interactions energy: -39.226
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.252
local terms energy: -48.476131
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -82.052522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.052522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.052522 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -32.384
Base-Backbone interact. energy: -0.013
local terms energy: -49.128097
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -11.393
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: 408
Temperature: 1.350000
Total energy: -77.191191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.191191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.191191 (E_RNA)
where:
Base-Base interactions energy: -38.687
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.051
local terms energy: -38.452557
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -4.868
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -213.293880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.293880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.293880 (E_RNA)
where:
Base-Base interactions energy: -139.527
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.009
local terms energy: -73.757526
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -19.028
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: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -203.941435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.941435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.941435 (E_RNA)
where:
Base-Base interactions energy: -131.799
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.004
local terms energy: -72.138431
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -194.085580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.085580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.085580 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.071
local terms energy: -69.175557
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -8.532
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: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -166.693930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.693930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.693930 (E_RNA)
where:
Base-Base interactions energy: -104.927
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.376
local terms energy: -61.391225
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -183.881703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.881703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.881703 (E_RNA)
where:
Base-Base interactions energy: -120.159
where: short stacking energy: -53.977
Base-Backbone interact. energy: -0.044
local terms energy: -63.678649
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -15.704
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: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -113.849389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.849389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.849389 (E_RNA)
where:
Base-Base interactions energy: -59.501
where: short stacking energy: -37.517
Base-Backbone interact. energy: -0.340
local terms energy: -54.007904
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -81.087802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087802 (E_RNA)
where:
Base-Base interactions energy: -31.529
where: short stacking energy: -31.529
Base-Backbone interact. energy: -0.240
local terms energy: -49.319064
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -8.443
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -3.874
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: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -83.113563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.113563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.113563 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -30.910
Base-Backbone interact. energy: 2.011
local terms energy: -53.870614
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -76.967103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.967103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.967103 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.004
local terms energy: -48.342697
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -6.910
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: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -84.902911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902911 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -28.746
Base-Backbone interact. energy: 1.123
local terms energy: -48.762312
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -209.234964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.234964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.234964 (E_RNA)
where:
Base-Base interactions energy: -134.295
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.212
local terms energy: -74.727979
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -19.455
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: 410
Temperature: 0.950000
Total energy: -206.588810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.588810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.588810 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.495
local terms energy: -76.156044
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -21.657
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: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -193.428277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.428277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.428277 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.069
local terms energy: -70.647446
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -183.621104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.621104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.621104 (E_RNA)
where:
Base-Base interactions energy: -115.049
where: short stacking energy: -45.335
Base-Backbone interact. energy: -0.417
local terms energy: -68.154555
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -194.335661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.335661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.335661 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -54.133
Base-Backbone interact. energy: -0.003
local terms energy: -71.815314
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -18.740
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: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -116.677414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.677414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.677414 (E_RNA)
where:
Base-Base interactions energy: -64.603
where: short stacking energy: -38.043
Base-Backbone interact. energy: -0.082
local terms energy: -51.993030
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -5.880
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -86.281463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.281463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.281463 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.156
local terms energy: -52.891847
where:
bonds (distance) C4'-P energy: -6.034
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -7.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -82.293367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.293367 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.061
local terms energy: -48.821890
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -79.914495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.914495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.914495 (E_RNA)
where:
Base-Base interactions energy: -36.687
where: short stacking energy: -36.687
Base-Backbone interact. energy: -0.113
local terms energy: -43.115239
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -0.823
tors. eta vs tors. theta energy: -8.548
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -74.634537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634537 (E_RNA)
where:
Base-Base interactions energy: -22.527
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.027
local terms energy: -52.080541
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -207.498361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.498361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.498361 (E_RNA)
where:
Base-Base interactions energy: -134.397
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.041
local terms energy: -73.061006
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -196.834911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.834911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.834911 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.161
local terms energy: -55.869899
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -184.380947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.380947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.380947 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -49.568
Base-Backbone interact. energy: -0.005
local terms energy: -66.814919
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -180.627665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.627665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.627665 (E_RNA)
where:
Base-Base interactions energy: -115.419
where: short stacking energy: -50.166
Base-Backbone interact. energy: -0.078
local terms energy: -65.131042
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -14.234
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: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -171.685664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.685664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.685664 (E_RNA)
where:
Base-Base interactions energy: -108.318
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.504
local terms energy: -62.864001
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -119.461567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.461567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.461567 (E_RNA)
where:
Base-Base interactions energy: -63.463
where: short stacking energy: -33.266
Base-Backbone interact. energy: 0.586
local terms energy: -56.585339
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -4.666
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: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -85.212610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212610 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -32.348
Base-Backbone interact. energy: -0.018
local terms energy: -52.846859
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -4.802
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: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -86.664000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.664000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.664000 (E_RNA)
where:
Base-Base interactions energy: -31.278
where: short stacking energy: -31.278
Base-Backbone interact. energy: -0.185
local terms energy: -55.200494
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -76.112748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.112748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.112748 (E_RNA)
where:
Base-Base interactions energy: -34.861
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.033
local terms energy: -41.219524
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -67.881502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.881502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.881502 (E_RNA)
where:
Base-Base interactions energy: -27.415
where: short stacking energy: -23.886
Base-Backbone interact. energy: 1.616
local terms energy: -42.082676
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -210.594128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.594128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.594128 (E_RNA)
where:
Base-Base interactions energy: -131.670
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.081
local terms energy: -78.842641
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -192.044158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.044158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.044158 (E_RNA)
where:
Base-Base interactions energy: -121.843
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.591
local terms energy: -69.610795
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -16.514
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: 412
Temperature: 1.000000
Total energy: -168.877998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.877998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.877998 (E_RNA)
where:
Base-Base interactions energy: -113.653
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.159
local terms energy: -55.066232
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -191.558287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.558287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.558287 (E_RNA)
where:
Base-Base interactions energy: -128.713
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.000
local terms energy: -62.844644
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -157.511186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.511186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.511186 (E_RNA)
where:
Base-Base interactions energy: -89.095
where: short stacking energy: -44.504
Base-Backbone interact. energy: 2.450
local terms energy: -70.866696
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.308
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: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -113.993311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.993311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.993311 (E_RNA)
where:
Base-Base interactions energy: -55.842
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.019
local terms energy: -58.131811
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -10.767
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: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -93.208629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.208629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.208629 (E_RNA)
where:
Base-Base interactions energy: -36.497
where: short stacking energy: -24.427
Base-Backbone interact. energy: -0.340
local terms energy: -56.371572
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -78.762813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.762813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.762813 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -24.354
Base-Backbone interact. energy: -0.473
local terms energy: -51.683182
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.783
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: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -83.044077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.044077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.044077 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -22.942
Base-Backbone interact. energy: -0.080
local terms energy: -50.688052
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -79.102202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102202 (E_RNA)
where:
Base-Base interactions energy: -35.137
where: short stacking energy: -22.930
Base-Backbone interact. energy: -0.088
local terms energy: -43.877156
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -6.993
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: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -207.314264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.314264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.314264 (E_RNA)
where:
Base-Base interactions energy: -130.787
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.004
local terms energy: -76.523119
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -167.697914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.697914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.697914 (E_RNA)
where:
Base-Base interactions energy: -104.966
where: short stacking energy: -52.598
Base-Backbone interact. energy: 0.108
local terms energy: -62.839540
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -188.349975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.349975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.349975 (E_RNA)
where:
Base-Base interactions energy: -122.850
where: short stacking energy: -51.609
Base-Backbone interact. energy: 1.528
local terms energy: -67.028115
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -17.146
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: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -191.212530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.212530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.212530 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.001
local terms energy: -65.918515
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -155.416662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.416662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.416662 (E_RNA)
where:
Base-Base interactions energy: -95.192
where: short stacking energy: -37.214
Base-Backbone interact. energy: -0.048
local terms energy: -60.177231
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.635
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: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -90.059988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.059988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.059988 (E_RNA)
where:
Base-Base interactions energy: -40.558
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.121
local terms energy: -49.381544
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -93.900575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.900575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.900575 (E_RNA)
where:
Base-Base interactions energy: -40.323
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.036
local terms energy: -53.541716
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -9.519
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: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -103.948374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.948374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.948374 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -45.853
Base-Backbone interact. energy: -0.017
local terms energy: -58.078503
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -13.419
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: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -75.364895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.364895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.364895 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -27.334
Base-Backbone interact. energy: -0.510
local terms energy: -42.205701
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -76.301416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.301416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.301416 (E_RNA)
where:
Base-Base interactions energy: -25.865
where: short stacking energy: -21.435
Base-Backbone interact. energy: -0.111
local terms energy: -50.325545
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -4.041
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: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -206.805396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.805396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.805396 (E_RNA)
where:
Base-Base interactions energy: -127.108
where: short stacking energy: -63.480
Base-Backbone interact. energy: -0.097
local terms energy: -79.600600
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -174.041112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.041112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.041112 (E_RNA)
where:
Base-Base interactions energy: -103.993
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.007
local terms energy: -70.040725
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -8.354
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: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -197.768891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768891 (E_RNA)
where:
Base-Base interactions energy: -122.277
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.080
local terms energy: -75.411555
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -164.252237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.252237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.252237 (E_RNA)
where:
Base-Base interactions energy: -104.485
where: short stacking energy: -50.310
Base-Backbone interact. energy: -0.083
local terms energy: -59.684274
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -4.718
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -167.556762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.556762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.556762 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -47.199
Base-Backbone interact. energy: -0.258
local terms energy: -60.273271
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -5.712
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: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -97.608641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.608641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.608641 (E_RNA)
where:
Base-Base interactions energy: -46.488
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.285
local terms energy: -50.835874
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -110.482158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.482158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.482158 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -35.093
Base-Backbone interact. energy: -0.681
local terms energy: -57.953143
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -77.399112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399112 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.366
local terms energy: -44.563668
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: 2.926
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: 414
Temperature: 1.300000
Total energy: -76.315478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.315478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.315478 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -26.612
Base-Backbone interact. energy: -0.007
local terms energy: -46.224104
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: 0.218
tors. eta vs tors. theta energy: -4.905
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: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -78.774118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.774118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.774118 (E_RNA)
where:
Base-Base interactions energy: -27.175
where: short stacking energy: -27.175
Base-Backbone interact. energy: -0.177
local terms energy: -51.422489
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -208.299095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.299095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.299095 (E_RNA)
where:
Base-Base interactions energy: -134.283
where: short stacking energy: -63.343
Base-Backbone interact. energy: -0.250
local terms energy: -73.766877
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -17.288
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: 415
Temperature: 0.950000
Total energy: -206.126278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.126278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.126278 (E_RNA)
where:
Base-Base interactions energy: -135.296
where: short stacking energy: -58.549
Base-Backbone interact. energy: 0.001
local terms energy: -70.831573
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -10.363
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: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -174.597079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597079 (E_RNA)
where:
Base-Base interactions energy: -105.445
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.007
local terms energy: -69.144667
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -167.562315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.562315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.562315 (E_RNA)
where:
Base-Base interactions energy: -114.538
where: short stacking energy: -49.003
Base-Backbone interact. energy: 0.342
local terms energy: -53.366568
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -2.462
tors. eta vs tors. theta energy: -8.443
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: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -159.993698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.993698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.993698 (E_RNA)
where:
Base-Base interactions energy: -100.926
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.076
local terms energy: -58.991851
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -17.027
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: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -109.667690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.667690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.667690 (E_RNA)
where:
Base-Base interactions energy: -57.549
where: short stacking energy: -34.510
Base-Backbone interact. energy: -0.471
local terms energy: -51.647447
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.487
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -76.859845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.859845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.859845 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -25.600
Base-Backbone interact. energy: -0.422
local terms energy: -43.752910
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -8.105
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -4.664
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -73.568986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.568986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.568986 (E_RNA)
where:
Base-Base interactions energy: -24.667
where: short stacking energy: -23.274
Base-Backbone interact. energy: -0.354
local terms energy: -48.547832
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -4.994
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: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -70.033546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.033546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.033546 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -29.152
Base-Backbone interact. energy: 1.534
local terms energy: -40.892906
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -73.712752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.712752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.712752 (E_RNA)
where:
Base-Base interactions energy: -26.518
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.065
local terms energy: -47.130321
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -199.701411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.701411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.701411 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.001
local terms energy: -68.870497
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -16.426
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: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -208.498633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.498633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.498633 (E_RNA)
where:
Base-Base interactions energy: -137.020
where: short stacking energy: -63.760
Base-Backbone interact. energy: 0.669
local terms energy: -72.147133
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -20.047
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: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -177.117935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.117935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.117935 (E_RNA)
where:
Base-Base interactions energy: -118.489
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.289
local terms energy: -58.340582
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -1.057
tors. eta vs tors. theta energy: -19.197
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: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -177.437754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.437754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.437754 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.227
local terms energy: -66.960948
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -14.183
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: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -103.377150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.377150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.377150 (E_RNA)
where:
Base-Base interactions energy: -54.664
where: short stacking energy: -35.567
Base-Backbone interact. energy: -0.141
local terms energy: -48.571307
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -147.505359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.505359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.505359 (E_RNA)
where:
Base-Base interactions energy: -90.631
where: short stacking energy: -46.117
Base-Backbone interact. energy: -0.117
local terms energy: -56.758270
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -11.266
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: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -92.470010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470010 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.021
local terms energy: -58.518791
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -13.145
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: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -83.663811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.663811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.663811 (E_RNA)
where:
Base-Base interactions energy: -30.205
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.059
local terms energy: -53.399874
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -3.438
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: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -74.295037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.295037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.295037 (E_RNA)
where:
Base-Base interactions energy: -21.616
where: short stacking energy: -21.616
Base-Backbone interact. energy: -0.106
local terms energy: -52.573888
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -70.516233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.516233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.516233 (E_RNA)
where:
Base-Base interactions energy: -24.862
where: short stacking energy: -20.351
Base-Backbone interact. energy: -0.128
local terms energy: -45.526863
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -209.689082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.689082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.689082 (E_RNA)
where:
Base-Base interactions energy: -144.415
where: short stacking energy: -63.251
Base-Backbone interact. energy: 1.245
local terms energy: -66.518941
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -174.862013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.862013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.862013 (E_RNA)
where:
Base-Base interactions energy: -114.643
where: short stacking energy: -45.620
Base-Backbone interact. energy: -0.022
local terms energy: -60.197737
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -197.475606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.475606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.475606 (E_RNA)
where:
Base-Base interactions energy: -129.945
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.024
local terms energy: -67.506543
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -187.139541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.139541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.139541 (E_RNA)
where:
Base-Base interactions energy: -121.363
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.011
local terms energy: -65.765131
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -101.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.767793 (E_RNA)
where:
Base-Base interactions energy: -52.380
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.179
local terms energy: -49.209110
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -7.490
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: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -138.643421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.643421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.643421 (E_RNA)
where:
Base-Base interactions energy: -76.638
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.086
local terms energy: -61.919445
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -11.158
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: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -72.592298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.592298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.592298 (E_RNA)
where:
Base-Base interactions energy: -23.431
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.135
local terms energy: -49.026907
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -8.845
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: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -78.396487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.396487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.396487 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -20.846
Base-Backbone interact. energy: -0.061
local terms energy: -51.655786
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -70.314358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.314358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.314358 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.182
local terms energy: -38.095472
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -5.092
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: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -88.251881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.251881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.251881 (E_RNA)
where:
Base-Base interactions energy: -50.355
where: short stacking energy: -24.089
Base-Backbone interact. energy: 0.126
local terms energy: -38.023016
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -9.323
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -0.169
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: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -213.086240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.086240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.086240 (E_RNA)
where:
Base-Base interactions energy: -139.982
where: short stacking energy: -62.015
Base-Backbone interact. energy: -0.523
local terms energy: -72.581099
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -178.801772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.801772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.801772 (E_RNA)
where:
Base-Base interactions energy: -107.895
where: short stacking energy: -46.572
Base-Backbone interact. energy: -0.012
local terms energy: -70.894442
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -194.679093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.679093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.679093 (E_RNA)
where:
Base-Base interactions energy: -127.591
where: short stacking energy: -51.454
Base-Backbone interact. energy: -0.003
local terms energy: -67.085098
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -199.502045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.502045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.502045 (E_RNA)
where:
Base-Base interactions energy: -135.929
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.013
local terms energy: -63.560623
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -113.729208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.729208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.729208 (E_RNA)
where:
Base-Base interactions energy: -52.963
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.365
local terms energy: -60.401078
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -113.299562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.299562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.299562 (E_RNA)
where:
Base-Base interactions energy: -67.741
where: short stacking energy: -29.259
Base-Backbone interact. energy: 0.279
local terms energy: -45.838254
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -87.565155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.565155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.565155 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -28.441
Base-Backbone interact. energy: -0.191
local terms energy: -46.646085
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -0.601
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: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -79.186860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.186860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.186860 (E_RNA)
where:
Base-Base interactions energy: -23.798
where: short stacking energy: -23.798
Base-Backbone interact. energy: -0.736
local terms energy: -54.653232
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -2.990
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: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -125.814854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.814854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.814854 (E_RNA)
where:
Base-Base interactions energy: -71.286
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.006
local terms energy: -54.522667
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -7.600
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -12.479
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: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -75.074213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.074213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.074213 (E_RNA)
where:
Base-Base interactions energy: -36.268
where: short stacking energy: -25.125
Base-Backbone interact. energy: 0.700
local terms energy: -39.506119
where:
bonds (distance) C4'-P energy: -5.158
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -0.273
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: 419
Temperature: 0.900000
Total energy: -210.348329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.348329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.348329 (E_RNA)
where:
Base-Base interactions energy: -137.671
where: short stacking energy: -56.460
Base-Backbone interact. energy: -0.238
local terms energy: -72.438984
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.835
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: 2, replica: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -205.264173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.264173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.264173 (E_RNA)
where:
Base-Base interactions energy: -134.566
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.559
local terms energy: -70.139440
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -177.934584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.934584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.934584 (E_RNA)
where:
Base-Base interactions energy: -107.249
where: short stacking energy: -47.716
Base-Backbone interact. energy: -0.055
local terms energy: -70.630159
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -188.851121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.851121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.851121 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.181
local terms energy: -70.718603
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -17.592
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: 419
Temperature: 1.100000
Total energy: -105.656648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.656648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.656648 (E_RNA)
where:
Base-Base interactions energy: -51.442
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.315
local terms energy: -53.899841
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -96.444622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.444622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.444622 (E_RNA)
where:
Base-Base interactions energy: -44.822
where: short stacking energy: -30.965
Base-Backbone interact. energy: -0.259
local terms energy: -51.363178
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -78.816386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816386 (E_RNA)
where:
Base-Base interactions energy: -36.239
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.210
local terms energy: -42.367045
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -3.283
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -82.279736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.279736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.279736 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -31.126
Base-Backbone interact. energy: -0.368
local terms energy: -51.986301
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -75.654194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654194 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -25.037
Base-Backbone interact. energy: -0.117
local terms energy: -49.949616
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -3.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -71.176498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.176498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.176498 (E_RNA)
where:
Base-Base interactions energy: -18.761
where: short stacking energy: -18.761
Base-Backbone interact. energy: -0.181
local terms energy: -52.234557
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -215.053341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.053341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.053341 (E_RNA)
where:
Base-Base interactions energy: -141.610
where: short stacking energy: -59.763
Base-Backbone interact. energy: -0.720
local terms energy: -72.723249
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -204.728358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.728358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728358 (E_RNA)
where:
Base-Base interactions energy: -128.419
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.215
local terms energy: -76.094062
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -197.269730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.269730 (E_RNA)
where:
Base-Base interactions energy: -123.877
where: short stacking energy: -50.621
Base-Backbone interact. energy: -0.002
local terms energy: -73.390687
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -156.588754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.588754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.588754 (E_RNA)
where:
Base-Base interactions energy: -99.359
where: short stacking energy: -44.267
Base-Backbone interact. energy: 1.187
local terms energy: -58.416691
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -10.052
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: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -109.818189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.818189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.818189 (E_RNA)
where:
Base-Base interactions energy: -57.718
where: short stacking energy: -44.009
Base-Backbone interact. energy: -0.004
local terms energy: -52.095863
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -81.526346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.526346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.526346 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.229
local terms energy: -49.584751
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -76.813196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.813196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.813196 (E_RNA)
where:
Base-Base interactions energy: -31.099
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.169
local terms energy: -45.545461
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -87.683392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.683392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.683392 (E_RNA)
where:
Base-Base interactions energy: -34.175
where: short stacking energy: -28.461
Base-Backbone interact. energy: -0.383
local terms energy: -53.125973
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -75.150508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.150508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.150508 (E_RNA)
where:
Base-Base interactions energy: -32.696
where: short stacking energy: -17.969
Base-Backbone interact. energy: -0.546
local terms energy: -41.907997
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -3.341
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: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -78.515594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.515594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.515594 (E_RNA)
where:
Base-Base interactions energy: -23.692
where: short stacking energy: -23.692
Base-Backbone interact. energy: -0.083
local terms energy: -54.740534
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -206.213038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.213038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.213038 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.100
local terms energy: -67.810364
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -204.166874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.166874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.166874 (E_RNA)
where:
Base-Base interactions energy: -131.925
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.000
local terms energy: -72.241537
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -196.814314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.814314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.814314 (E_RNA)
where:
Base-Base interactions energy: -123.528
where: short stacking energy: -54.028
Base-Backbone interact. energy: 0.456
local terms energy: -73.742379
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -145.376875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.376875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.376875 (E_RNA)
where:
Base-Base interactions energy: -88.364
where: short stacking energy: -44.411
Base-Backbone interact. energy: -0.121
local terms energy: -56.891698
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -114.037813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.037813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.037813 (E_RNA)
where:
Base-Base interactions energy: -67.124
where: short stacking energy: -34.910
Base-Backbone interact. energy: -0.407
local terms energy: -46.506543
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -5.907
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: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -91.248881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.248881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.248881 (E_RNA)
where:
Base-Base interactions energy: -46.962
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.504
local terms energy: -43.782761
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: 1.793
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -113.740897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.740897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.740897 (E_RNA)
where:
Base-Base interactions energy: -65.168
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.694
local terms energy: -47.878826
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -1.188
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: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -92.558600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.558600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.558600 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.117
local terms energy: -50.748166
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -4.195
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: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -79.252468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.252468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.252468 (E_RNA)
where:
Base-Base interactions energy: -33.159
where: short stacking energy: -26.836
Base-Backbone interact. energy: 0.339
local terms energy: -46.432245
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -5.746
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: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -68.497851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.497851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.497851 (E_RNA)
where:
Base-Base interactions energy: -24.321
where: short stacking energy: -22.757
Base-Backbone interact. energy: -0.302
local terms energy: -43.875519
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -1.705
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -195.217847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.217847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.217847 (E_RNA)
where:
Base-Base interactions energy: -127.590
where: short stacking energy: -56.039
Base-Backbone interact. energy: -0.087
local terms energy: -67.540106
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.358
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: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -202.540393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540393 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.103
local terms energy: -66.119903
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -190.833478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.833478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.833478 (E_RNA)
where:
Base-Base interactions energy: -122.918
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.019
local terms energy: -67.897394
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -148.430876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.430876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.430876 (E_RNA)
where:
Base-Base interactions energy: -89.485
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.361
local terms energy: -58.584106
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -4.234
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: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -97.200478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.200478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.200478 (E_RNA)
where:
Base-Base interactions energy: -40.593
where: short stacking energy: -27.529
Base-Backbone interact. energy: -0.808
local terms energy: -55.799178
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -83.456380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.456380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.456380 (E_RNA)
where:
Base-Base interactions energy: -37.714
where: short stacking energy: -29.952
Base-Backbone interact. energy: 1.087
local terms energy: -46.829825
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -150.638763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.638763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.638763 (E_RNA)
where:
Base-Base interactions energy: -90.224
where: short stacking energy: -45.244
Base-Backbone interact. energy: -0.273
local terms energy: -60.140850
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -10.528
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: 422
Temperature: 1.250000
Total energy: -81.533946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.533946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.533946 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -33.909
Base-Backbone interact. energy: 0.144
local terms energy: -47.769089
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -85.690516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690516 (E_RNA)
where:
Base-Base interactions energy: -35.947
where: short stacking energy: -35.947
Base-Backbone interact. energy: -0.047
local terms energy: -49.695915
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -1.236
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: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -76.443881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.443881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.443881 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -18.378
Base-Backbone interact. energy: -0.610
local terms energy: -42.496654
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: 1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -206.254116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.254116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.254116 (E_RNA)
where:
Base-Base interactions energy: -133.399
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.236
local terms energy: -72.619311
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -198.620298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.620298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.620298 (E_RNA)
where:
Base-Base interactions energy: -128.869
where: short stacking energy: -50.990
Base-Backbone interact. energy: -0.193
local terms energy: -69.557985
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -194.392020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.392020 (E_RNA)
where:
Base-Base interactions energy: -123.027
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.001
local terms energy: -71.363959
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -154.591485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.591485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.591485 (E_RNA)
where:
Base-Base interactions energy: -96.356
where: short stacking energy: -47.499
Base-Backbone interact. energy: 1.202
local terms energy: -59.437373
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -110.803012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.803012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.803012 (E_RNA)
where:
Base-Base interactions energy: -52.624
where: short stacking energy: -41.289
Base-Backbone interact. energy: -0.880
local terms energy: -57.299432
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -7.203
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: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -182.252943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.252943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.252943 (E_RNA)
where:
Base-Base interactions energy: -122.287
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.486
local terms energy: -59.480498
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -86.870875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.870875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.870875 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -34.554
Base-Backbone interact. energy: 0.798
local terms energy: -52.457636
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -8.180
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: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -98.774544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.774544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.774544 (E_RNA)
where:
Base-Base interactions energy: -51.044
where: short stacking energy: -32.730
Base-Backbone interact. energy: -0.858
local terms energy: -46.873061
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -76.523953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.523953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.523953 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -25.389
Base-Backbone interact. energy: -0.091
local terms energy: -46.761296
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -74.424327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.424327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.424327 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -18.371
Base-Backbone interact. energy: 0.134
local terms energy: -37.488667
where:
bonds (distance) C4'-P energy: -5.931
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -208.763642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.763642 (E_RNA)
where:
Base-Base interactions energy: -140.336
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.000
local terms energy: -68.427583
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -200.854340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.854340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.854340 (E_RNA)
where:
Base-Base interactions energy: -133.335
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.006
local terms energy: -67.512446
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -190.355871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.355871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.355871 (E_RNA)
where:
Base-Base interactions energy: -128.971
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.004
local terms energy: -61.380887
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -166.971977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.971977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.971977 (E_RNA)
where:
Base-Base interactions energy: -106.791
where: short stacking energy: -50.874
Base-Backbone interact. energy: -0.582
local terms energy: -59.599019
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -12.084
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: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -175.266233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.266233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.266233 (E_RNA)
where:
Base-Base interactions energy: -111.442
where: short stacking energy: -54.839
Base-Backbone interact. energy: -0.177
local terms energy: -63.646890
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -118.193577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.193577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.193577 (E_RNA)
where:
Base-Base interactions energy: -59.217
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.105
local terms energy: -58.871090
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -5.580
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: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -90.637065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.637065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.637065 (E_RNA)
where:
Base-Base interactions energy: -41.769
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.645
local terms energy: -48.222742
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -3.984
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: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -90.143355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.143355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.143355 (E_RNA)
where:
Base-Base interactions energy: -46.014
where: short stacking energy: -30.801
Base-Backbone interact. energy: 4.299
local terms energy: -48.428597
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -2.642
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: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -72.737243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.737243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.737243 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -28.172
Base-Backbone interact. energy: -0.333
local terms energy: -35.328383
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: 1.384
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -83.349729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349729 (E_RNA)
where:
Base-Base interactions energy: -42.067
where: short stacking energy: -42.067
Base-Backbone interact. energy: -0.013
local terms energy: -41.269750
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -8.106
flat angles P-C4'-P energy: -0.523
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -211.962578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.962578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.962578 (E_RNA)
where:
Base-Base interactions energy: -137.653
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.001
local terms energy: -74.308886
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -10.518
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: 425
Temperature: 0.950000
Total energy: -208.386053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386053 (E_RNA)
where:
Base-Base interactions energy: -135.453
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.002
local terms energy: -72.931615
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -195.408164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.408164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.408164 (E_RNA)
where:
Base-Base interactions energy: -125.297
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.002
local terms energy: -70.109736
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.304
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: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -173.526062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.526062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.526062 (E_RNA)
where:
Base-Base interactions energy: -110.259
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.072
local terms energy: -63.195311
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -10.679
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: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -165.246506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.246506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.246506 (E_RNA)
where:
Base-Base interactions energy: -106.002
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.010
local terms energy: -59.235090
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -5.988
flat angles P-C4'-P energy: -9.541
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: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -105.342985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.342985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.342985 (E_RNA)
where:
Base-Base interactions energy: -56.101
where: short stacking energy: -24.904
Base-Backbone interact. energy: -0.120
local terms energy: -49.121695
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: 0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -114.126493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.126493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.126493 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -36.046
Base-Backbone interact. energy: -1.497
local terms energy: -59.496786
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -83.842869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.842869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.842869 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -21.060
Base-Backbone interact. energy: 0.472
local terms energy: -46.613854
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -7.689
flat angles P-C4'-P energy: -7.376
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: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -93.031088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.031088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.031088 (E_RNA)
where:
Base-Base interactions energy: -48.098
where: short stacking energy: -41.731
Base-Backbone interact. energy: 1.188
local terms energy: -46.120560
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -82.666051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.666051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.666051 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -35.926
Base-Backbone interact. energy: -0.079
local terms energy: -46.661262
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -209.628727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628727 (E_RNA)
where:
Base-Base interactions energy: -132.396
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.001
local terms energy: -77.231050
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -203.740193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.740193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.740193 (E_RNA)
where:
Base-Base interactions energy: -136.382
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.047
local terms energy: -67.311746
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -203.634468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.634468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.634468 (E_RNA)
where:
Base-Base interactions energy: -130.893
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.024
local terms energy: -72.717997
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -193.331876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.331876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.331876 (E_RNA)
where:
Base-Base interactions energy: -128.378
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.001
local terms energy: -64.952773
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -163.041075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.041075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.041075 (E_RNA)
where:
Base-Base interactions energy: -103.859
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.268
local terms energy: -58.914375
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -98.297492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.297492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.297492 (E_RNA)
where:
Base-Base interactions energy: -53.402
where: short stacking energy: -25.688
Base-Backbone interact. energy: 0.600
local terms energy: -45.495745
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: 1.201
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: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -99.962092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.962092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.962092 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.154
local terms energy: -58.563895
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -85.642258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.642258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.642258 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.113
local terms energy: -43.980734
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -7.439
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -82.251579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.251579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.251579 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -28.209
Base-Backbone interact. energy: 0.845
local terms energy: -47.123352
where:
bonds (distance) C4'-P energy: -7.538
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -5.761
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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -75.442348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.442348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.442348 (E_RNA)
where:
Base-Base interactions energy: -19.527
where: short stacking energy: -19.527
Base-Backbone interact. energy: -0.006
local terms energy: -55.909626
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -3.851
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: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -209.632056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.632056 (E_RNA)
where:
Base-Base interactions energy: -135.197
where: short stacking energy: -56.846
Base-Backbone interact. energy: -0.751
local terms energy: -73.683525
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -4.701
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: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -199.761836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.761836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.761836 (E_RNA)
where:
Base-Base interactions energy: -132.036
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.119
local terms energy: -67.606714
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -14.846
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: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -205.136133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.136133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.136133 (E_RNA)
where:
Base-Base interactions energy: -137.722
where: short stacking energy: -54.483
Base-Backbone interact. energy: -0.081
local terms energy: -67.332900
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -8.584
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: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -193.171558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.171558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.171558 (E_RNA)
where:
Base-Base interactions energy: -122.870
where: short stacking energy: -51.735
Base-Backbone interact. energy: 0.351
local terms energy: -70.652272
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -17.163
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -169.713666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.713666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.713666 (E_RNA)
where:
Base-Base interactions energy: -105.562
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.369
local terms energy: -63.782659
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -12.666
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: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -105.830878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.830878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.830878 (E_RNA)
where:
Base-Base interactions energy: -56.164
where: short stacking energy: -39.491
Base-Backbone interact. energy: -0.738
local terms energy: -48.929363
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -5.936
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: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -88.241691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.241691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.241691 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.091
local terms energy: -56.741939
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.370
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: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -99.244385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.244385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.244385 (E_RNA)
where:
Base-Base interactions energy: -45.621
where: short stacking energy: -25.106
Base-Backbone interact. energy: -0.271
local terms energy: -53.352509
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -77.226101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.226101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.226101 (E_RNA)
where:
Base-Base interactions energy: -33.635
where: short stacking energy: -26.565
Base-Backbone interact. energy: -0.128
local terms energy: -43.463836
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -78.066585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.066585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.066585 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -33.959
Base-Backbone interact. energy: -0.122
local terms energy: -43.985711
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -203.648179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648179 (E_RNA)
where:
Base-Base interactions energy: -130.590
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.006
local terms energy: -73.052567
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.243
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -207.144364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.144364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.144364 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -62.074
Base-Backbone interact. energy: 0.002
local terms energy: -66.048142
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -202.985324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.985324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.985324 (E_RNA)
where:
Base-Base interactions energy: -125.963
where: short stacking energy: -62.742
Base-Backbone interact. energy: 1.202
local terms energy: -78.224757
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -18.190
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: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -196.986566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.986566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.986566 (E_RNA)
where:
Base-Base interactions energy: -135.535
where: short stacking energy: -55.993
Base-Backbone interact. energy: 0.877
local terms energy: -62.329068
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -93.284425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.284425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.284425 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -30.995
Base-Backbone interact. energy: -0.119
local terms energy: -53.274522
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -6.568
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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -165.653717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.653717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.653717 (E_RNA)
where:
Base-Base interactions energy: -97.874
where: short stacking energy: -47.173
Base-Backbone interact. energy: -0.136
local terms energy: -67.644465
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -78.702153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.702153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.702153 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -17.993
Base-Backbone interact. energy: 0.171
local terms energy: -47.861588
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: 0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -78.741318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741318 (E_RNA)
where:
Base-Base interactions energy: -28.107
where: short stacking energy: -28.107
Base-Backbone interact. energy: 0.508
local terms energy: -51.142120
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -7.211
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: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -78.619492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619492 (E_RNA)
where:
Base-Base interactions energy: -30.915
where: short stacking energy: -27.739
Base-Backbone interact. energy: -0.042
local terms energy: -47.662322
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -6.470
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: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -75.754458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.754458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.754458 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -18.222
Base-Backbone interact. energy: 0.147
local terms energy: -45.068796
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -6.165
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: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -203.397607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.397607 (E_RNA)
where:
Base-Base interactions energy: -131.546
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.108
local terms energy: -71.743103
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.668
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: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -208.083324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.083324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.083324 (E_RNA)
where:
Base-Base interactions energy: -140.095
where: short stacking energy: -61.363
Base-Backbone interact. energy: 0.565
local terms energy: -68.553835
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.329
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: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -201.023323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.023323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.023323 (E_RNA)
where:
Base-Base interactions energy: -135.864
where: short stacking energy: -68.467
Base-Backbone interact. energy: -0.280
local terms energy: -64.879905
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -20.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -196.066278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.066278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.066278 (E_RNA)
where:
Base-Base interactions energy: -125.053
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.103
local terms energy: -70.910073
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -93.020631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.020631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.020631 (E_RNA)
where:
Base-Base interactions energy: -45.814
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.285
local terms energy: -46.921880
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -5.482
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: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -120.126297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.126297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.126297 (E_RNA)
where:
Base-Base interactions energy: -67.015
where: short stacking energy: -39.027
Base-Backbone interact. energy: 1.078
local terms energy: -54.188399
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -7.824
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: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -135.270708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.270708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.270708 (E_RNA)
where:
Base-Base interactions energy: -79.433
where: short stacking energy: -32.724
Base-Backbone interact. energy: -0.078
local terms energy: -55.759838
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.482
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: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -87.696183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.696183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.696183 (E_RNA)
where:
Base-Base interactions energy: -36.749
where: short stacking energy: -35.402
Base-Backbone interact. energy: -1.410
local terms energy: -49.536607
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -4.159
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: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -62.660151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.660151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.660151 (E_RNA)
where:
Base-Base interactions energy: -21.751
where: short stacking energy: -12.750
Base-Backbone interact. energy: 0.925
local terms energy: -41.834169
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: 2.775
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -76.158828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.158828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.158828 (E_RNA)
where:
Base-Base interactions energy: -31.038
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.225
local terms energy: -44.896629
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -213.225592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.225592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.225592 (E_RNA)
where:
Base-Base interactions energy: -137.435
where: short stacking energy: -61.289
Base-Backbone interact. energy: -0.021
local terms energy: -75.769835
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -21.470
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: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -205.749725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.749725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.749725 (E_RNA)
where:
Base-Base interactions energy: -128.871
where: short stacking energy: -62.571
Base-Backbone interact. energy: -0.211
local terms energy: -76.667512
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.170
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -207.284081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.284081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.284081 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.001
local terms energy: -67.170450
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -182.238233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.238233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.238233 (E_RNA)
where:
Base-Base interactions energy: -121.236
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.119
local terms energy: -60.882642
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -7.703
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: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -153.288984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.288984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.288984 (E_RNA)
where:
Base-Base interactions energy: -97.395
where: short stacking energy: -53.965
Base-Backbone interact. energy: -0.011
local terms energy: -55.882948
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -2.121
tors. eta vs tors. theta energy: -18.171
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -93.133111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.133111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.133111 (E_RNA)
where:
Base-Base interactions energy: -48.237
where: short stacking energy: -30.383
Base-Backbone interact. energy: 0.878
local terms energy: -45.774002
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -8.652
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -3.592
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: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -107.317514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.317514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.317514 (E_RNA)
where:
Base-Base interactions energy: -56.742
where: short stacking energy: -26.655
Base-Backbone interact. energy: -0.264
local terms energy: -50.311210
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -85.766111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766111 (E_RNA)
where:
Base-Base interactions energy: -36.924
where: short stacking energy: -29.117
Base-Backbone interact. energy: 1.006
local terms energy: -49.847632
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -5.051
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: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -74.768638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.768638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.768638 (E_RNA)
where:
Base-Base interactions energy: -28.657
where: short stacking energy: -26.297
Base-Backbone interact. energy: 0.719
local terms energy: -46.830410
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -1.809
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: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -78.201587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201587 (E_RNA)
where:
Base-Base interactions energy: -24.950
where: short stacking energy: -19.898
Base-Backbone interact. energy: 0.861
local terms energy: -54.112578
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -4.431
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: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -205.950861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.950861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.950861 (E_RNA)
where:
Base-Base interactions energy: -130.882
where: short stacking energy: -57.619
Base-Backbone interact. energy: 0.096
local terms energy: -75.164865
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -16.497
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: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -209.173143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.173143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.173143 (E_RNA)
where:
Base-Base interactions energy: -136.660
where: short stacking energy: -57.812
Base-Backbone interact. energy: -0.695
local terms energy: -71.818386
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -7.098
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -194.174120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.174120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.174120 (E_RNA)
where:
Base-Base interactions energy: -126.075
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.004
local terms energy: -68.094255
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -170.446896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.446896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.446896 (E_RNA)
where:
Base-Base interactions energy: -101.907
where: short stacking energy: -50.313
Base-Backbone interact. energy: 0.383
local terms energy: -68.923391
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -14.756
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: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -185.930630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.930630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.930630 (E_RNA)
where:
Base-Base interactions energy: -117.977
where: short stacking energy: -60.504
Base-Backbone interact. energy: 1.397
local terms energy: -69.350651
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.582
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: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -89.312591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.312591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.312591 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -24.789
Base-Backbone interact. energy: -0.122
local terms energy: -55.921757
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -1.624
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: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -90.891864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.891864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.891864 (E_RNA)
where:
Base-Base interactions energy: -48.137
where: short stacking energy: -33.425
Base-Backbone interact. energy: 0.826
local terms energy: -43.580904
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -2.134
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: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -76.538696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.538696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.538696 (E_RNA)
where:
Base-Base interactions energy: -38.220
where: short stacking energy: -16.939
Base-Backbone interact. energy: -0.480
local terms energy: -37.838700
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: 4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -82.987131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987131 (E_RNA)
where:
Base-Base interactions energy: -31.238
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.108
local terms energy: -51.641619
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -76.387031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.387031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.387031 (E_RNA)
where:
Base-Base interactions energy: -19.797
where: short stacking energy: -17.853
Base-Backbone interact. energy: -0.896
local terms energy: -55.694179
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -212.359638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.359638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.359638 (E_RNA)
where:
Base-Base interactions energy: -143.483
where: short stacking energy: -64.018
Base-Backbone interact. energy: 0.860
local terms energy: -69.736431
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -19.998
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: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -200.654083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.654083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.654083 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -64.151
Base-Backbone interact. energy: -0.003
local terms energy: -68.095514
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -201.137727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137727 (E_RNA)
where:
Base-Base interactions energy: -130.463
where: short stacking energy: -60.315
Base-Backbone interact. energy: -0.061
local terms energy: -70.613805
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -19.278
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: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -150.648611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.648611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.648611 (E_RNA)
where:
Base-Base interactions energy: -89.708
where: short stacking energy: -46.912
Base-Backbone interact. energy: -0.232
local terms energy: -60.708275
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -186.732267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.732267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.732267 (E_RNA)
where:
Base-Base interactions energy: -122.013
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.016
local terms energy: -64.703234
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -9.209
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -91.762000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.762000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.762000 (E_RNA)
where:
Base-Base interactions energy: -32.107
where: short stacking energy: -25.986
Base-Backbone interact. energy: 0.020
local terms energy: -59.675277
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -82.991415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.991415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.991415 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -22.668
Base-Backbone interact. energy: -0.101
local terms energy: -46.352528
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -8.642
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -114.042167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.042167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.042167 (E_RNA)
where:
Base-Base interactions energy: -58.313
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.105
local terms energy: -55.624290
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -9.251
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: 432
Temperature: 1.300000
Total energy: -93.634567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.634567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.634567 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -33.836
Base-Backbone interact. energy: -0.192
local terms energy: -51.897218
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -8.766
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -83.379260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.379260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.379260 (E_RNA)
where:
Base-Base interactions energy: -31.706
where: short stacking energy: -30.511
Base-Backbone interact. energy: 1.040
local terms energy: -52.712469
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -193.756806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.756806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.756806 (E_RNA)
where:
Base-Base interactions energy: -124.568
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.035
local terms energy: -69.153490
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -197.417539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.417539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.417539 (E_RNA)
where:
Base-Base interactions energy: -126.696
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.054
local terms energy: -70.667880
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.070
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: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -199.491132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.491132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.491132 (E_RNA)
where:
Base-Base interactions energy: -138.416
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.033
local terms energy: -61.042070
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -1.024
tors. eta vs tors. theta energy: -21.147
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: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -206.057619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.057619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.057619 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.001
local terms energy: -63.001701
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -145.337856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.337856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.337856 (E_RNA)
where:
Base-Base interactions energy: -89.119
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.019
local terms energy: -56.199699
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -93.761806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.761806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.761806 (E_RNA)
where:
Base-Base interactions energy: -43.431
where: short stacking energy: -38.547
Base-Backbone interact. energy: 1.202
local terms energy: -51.532570
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -8.537
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -87.264802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.264802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.264802 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -31.429
Base-Backbone interact. energy: -0.059
local terms energy: -56.076419
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -86.255613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.255613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.255613 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -33.163
Base-Backbone interact. energy: -0.128
local terms energy: -52.694042
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -7.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -76.455467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.455467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.455467 (E_RNA)
where:
Base-Base interactions energy: -29.387
where: short stacking energy: -26.861
Base-Backbone interact. energy: -0.085
local terms energy: -46.983619
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.584306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.584306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.584306 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -22.314
Base-Backbone interact. energy: -0.041
local terms energy: -49.964332
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -3.547
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: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -214.403753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.403753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.403753 (E_RNA)
where:
Base-Base interactions energy: -144.718
where: short stacking energy: -62.834
Base-Backbone interact. energy: -0.002
local terms energy: -69.683235
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -21.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -198.698108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.698108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.698108 (E_RNA)
where:
Base-Base interactions energy: -132.628
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.150
local terms energy: -65.919503
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -193.823184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.823184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.823184 (E_RNA)
where:
Base-Base interactions energy: -133.265
where: short stacking energy: -58.159
Base-Backbone interact. energy: 4.043
local terms energy: -64.600991
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.005
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: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -190.965163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.965163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.965163 (E_RNA)
where:
Base-Base interactions energy: -118.105
where: short stacking energy: -60.302
Base-Backbone interact. energy: -0.000
local terms energy: -72.860089
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.491
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: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -102.623307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.623307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.623307 (E_RNA)
where:
Base-Base interactions energy: -48.124
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.041
local terms energy: -54.458143
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -133.618644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.618644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.618644 (E_RNA)
where:
Base-Base interactions energy: -82.831
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.132
local terms energy: -50.655525
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -84.283246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.283246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.283246 (E_RNA)
where:
Base-Base interactions energy: -31.024
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.021
local terms energy: -53.237792
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -108.561931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.561931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.561931 (E_RNA)
where:
Base-Base interactions energy: -59.077
where: short stacking energy: -27.238
Base-Backbone interact. energy: -0.157
local terms energy: -49.328854
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -79.430883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.430883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.430883 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -25.312
Base-Backbone interact. energy: -0.113
local terms energy: -54.005486
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -70.229327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.229327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.229327 (E_RNA)
where:
Base-Base interactions energy: -23.654
where: short stacking energy: -20.949
Base-Backbone interact. energy: -0.100
local terms energy: -46.475236
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -195.643645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.643645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.643645 (E_RNA)
where:
Base-Base interactions energy: -126.313
where: short stacking energy: -47.225
Base-Backbone interact. energy: -0.128
local terms energy: -69.202619
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -9.865
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: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -206.206738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.206738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.206738 (E_RNA)
where:
Base-Base interactions energy: -130.621
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.007
local terms energy: -75.578473
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -18.953
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -203.609456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.609456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.609456 (E_RNA)
where:
Base-Base interactions energy: -133.612
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.602
local terms energy: -69.395446
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -192.768543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.768543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.768543 (E_RNA)
where:
Base-Base interactions energy: -118.873
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.134
local terms energy: -73.760942
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -18.994
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: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -104.927231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.927231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.927231 (E_RNA)
where:
Base-Base interactions energy: -51.425
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.035
local terms energy: -53.467391
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -5.446
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: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -135.625544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.625544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.625544 (E_RNA)
where:
Base-Base interactions energy: -79.703
where: short stacking energy: -43.698
Base-Backbone interact. energy: -0.041
local terms energy: -55.881262
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -87.163949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.163949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.163949 (E_RNA)
where:
Base-Base interactions energy: -40.269
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.899
local terms energy: -45.995519
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -82.633243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.633243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.633243 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.054
local terms energy: -45.733812
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -85.323594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.323594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.323594 (E_RNA)
where:
Base-Base interactions energy: -41.899
where: short stacking energy: -21.220
Base-Backbone interact. energy: -0.097
local terms energy: -43.327790
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -85.298587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.298587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.298587 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.106
local terms energy: -47.582328
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -211.118601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.118601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.118601 (E_RNA)
where:
Base-Base interactions energy: -135.415
where: short stacking energy: -55.038
Base-Backbone interact. energy: -0.096
local terms energy: -75.607072
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -196.684678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.684678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.684678 (E_RNA)
where:
Base-Base interactions energy: -130.936
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.426
local terms energy: -65.322981
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -7.400
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: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -201.744955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.744955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.744955 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.061
local terms energy: -68.610175
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -177.490018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.490018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.490018 (E_RNA)
where:
Base-Base interactions energy: -114.476
where: short stacking energy: -54.117
Base-Backbone interact. energy: -0.019
local terms energy: -62.995346
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -145.253641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.253641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.253641 (E_RNA)
where:
Base-Base interactions energy: -91.063
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.426
local terms energy: -53.764661
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -147.919497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.919497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.919497 (E_RNA)
where:
Base-Base interactions energy: -90.730
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.746
local terms energy: -56.444377
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -100.449744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.449744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.449744 (E_RNA)
where:
Base-Base interactions energy: -45.101
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.101
local terms energy: -55.247409
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -98.032712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.032712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.032712 (E_RNA)
where:
Base-Base interactions energy: -43.068
where: short stacking energy: -33.099
Base-Backbone interact. energy: -0.025
local terms energy: -54.939240
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -71.671837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.671837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.671837 (E_RNA)
where:
Base-Base interactions energy: -20.325
where: short stacking energy: -20.325
Base-Backbone interact. energy: -0.149
local terms energy: -51.198035
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -71.551263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.551263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.551263 (E_RNA)
where:
Base-Base interactions energy: -23.506
where: short stacking energy: -16.704
Base-Backbone interact. energy: -0.337
local terms energy: -47.708638
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: 2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -198.941973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.941973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.941973 (E_RNA)
where:
Base-Base interactions energy: -132.519
where: short stacking energy: -57.044
Base-Backbone interact. energy: 0.299
local terms energy: -66.722101
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -206.545273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.545273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.545273 (E_RNA)
where:
Base-Base interactions energy: -139.188
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.002
local terms energy: -67.355181
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -204.352228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.352228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.352228 (E_RNA)
where:
Base-Base interactions energy: -131.143
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.423
local terms energy: -72.786236
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -178.146260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.146260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.146260 (E_RNA)
where:
Base-Base interactions energy: -117.808
where: short stacking energy: -56.979
Base-Backbone interact. energy: -0.006
local terms energy: -60.332518
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -11.496
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: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -152.395605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.395605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.395605 (E_RNA)
where:
Base-Base interactions energy: -99.515
where: short stacking energy: -36.929
Base-Backbone interact. energy: -0.248
local terms energy: -52.633082
where:
bonds (distance) C4'-P energy: -6.916
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -151.942655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.942655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.942655 (E_RNA)
where:
Base-Base interactions energy: -99.367
where: short stacking energy: -40.445
Base-Backbone interact. energy: -0.168
local terms energy: -52.407650
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -10.923
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: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -87.578861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.578861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.578861 (E_RNA)
where:
Base-Base interactions energy: -34.537
where: short stacking energy: -34.537
Base-Backbone interact. energy: -0.022
local terms energy: -53.019700
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -10.171
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -78.228901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228901 (E_RNA)
where:
Base-Base interactions energy: -33.215
where: short stacking energy: -30.558
Base-Backbone interact. energy: -0.090
local terms energy: -44.923499
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -8.325
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -76.430511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.430511 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -20.648
Base-Backbone interact. energy: 1.772
local terms energy: -42.735833
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -12.008
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: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -84.100714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.100714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.100714 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -31.370
Base-Backbone interact. energy: -1.814
local terms energy: -50.478446
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -203.998489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.998489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.998489 (E_RNA)
where:
Base-Base interactions energy: -133.231
where: short stacking energy: -61.497
Base-Backbone interact. energy: -0.167
local terms energy: -70.600463
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -17.671
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: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -203.581349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.581349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.581349 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.001
local terms energy: -66.230769
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -8.739
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -184.400334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.400334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.400334 (E_RNA)
where:
Base-Base interactions energy: -112.624
where: short stacking energy: -58.667
Base-Backbone interact. energy: -0.001
local terms energy: -71.775613
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -12.807
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: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -195.946238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.946238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.946238 (E_RNA)
where:
Base-Base interactions energy: -126.222
where: short stacking energy: -58.265
Base-Backbone interact. energy: -0.137
local terms energy: -69.586523
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -20.027
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: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -144.504727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.504727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.504727 (E_RNA)
where:
Base-Base interactions energy: -86.081
where: short stacking energy: -43.313
Base-Backbone interact. energy: -0.022
local terms energy: -58.401882
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -140.482703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.482703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.482703 (E_RNA)
where:
Base-Base interactions energy: -82.185
where: short stacking energy: -35.866
Base-Backbone interact. energy: -0.217
local terms energy: -58.081351
where:
bonds (distance) C4'-P energy: -7.302
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -85.379779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379779 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -31.031
Base-Backbone interact. energy: -0.764
local terms energy: -49.573436
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -81.676331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.676331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.676331 (E_RNA)
where:
Base-Base interactions energy: -33.795
where: short stacking energy: -19.784
Base-Backbone interact. energy: -0.225
local terms energy: -47.655807
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -81.044791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.044791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.044791 (E_RNA)
where:
Base-Base interactions energy: -30.065
where: short stacking energy: -21.316
Base-Backbone interact. energy: -0.332
local terms energy: -50.647588
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -6.002
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: 438
Temperature: 1.350000
Total energy: -73.250368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.250368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.250368 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -26.368
Base-Backbone interact. energy: -0.667
local terms energy: -41.750096
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -199.989105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.989105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.989105 (E_RNA)
where:
Base-Base interactions energy: -130.931
where: short stacking energy: -59.657
Base-Backbone interact. energy: 0.015
local terms energy: -69.072817
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -195.995912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.995912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.995912 (E_RNA)
where:
Base-Base interactions energy: -126.450
where: short stacking energy: -59.986
Base-Backbone interact. energy: -0.001
local terms energy: -69.545236
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -192.589264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.589264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.589264 (E_RNA)
where:
Base-Base interactions energy: -128.321
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.261
local terms energy: -64.007862
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -2.778
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: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -193.756226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.756226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.756226 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.836
local terms energy: -66.909893
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -155.839850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.839850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.839850 (E_RNA)
where:
Base-Base interactions energy: -106.350
where: short stacking energy: -50.624
Base-Backbone interact. energy: -0.485
local terms energy: -49.004508
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -143.765422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.765422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.765422 (E_RNA)
where:
Base-Base interactions energy: -85.175
where: short stacking energy: -45.301
Base-Backbone interact. energy: -0.174
local terms energy: -58.416775
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -9.729
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: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -97.776270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.776270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.776270 (E_RNA)
where:
Base-Base interactions energy: -44.144
where: short stacking energy: -31.853
Base-Backbone interact. energy: -0.204
local terms energy: -53.427628
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -98.769374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.769374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.769374 (E_RNA)
where:
Base-Base interactions energy: -49.437
where: short stacking energy: -28.423
Base-Backbone interact. energy: -0.065
local terms energy: -49.267099
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -75.776523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.776523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.776523 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.231
local terms energy: -44.424312
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -4.777
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: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -79.536938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.536938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.536938 (E_RNA)
where:
Base-Base interactions energy: -41.832
where: short stacking energy: -22.727
Base-Backbone interact. energy: 0.057
local terms energy: -37.761980
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -5.539
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -206.616880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616880 (E_RNA)
where:
Base-Base interactions energy: -132.988
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.095
local terms energy: -73.533272
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -182.066462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.066462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.066462 (E_RNA)
where:
Base-Base interactions energy: -112.365
where: short stacking energy: -54.562
Base-Backbone interact. energy: -0.035
local terms energy: -69.666349
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -9.495
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: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -191.216260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.216260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.216260 (E_RNA)
where:
Base-Base interactions energy: -119.753
where: short stacking energy: -53.593
Base-Backbone interact. energy: -0.101
local terms energy: -71.362471
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -18.472
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: 440
Temperature: 1.050000
Total energy: -188.760610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.760610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.760610 (E_RNA)
where:
Base-Base interactions energy: -116.799
where: short stacking energy: -55.523
Base-Backbone interact. energy: -0.002
local terms energy: -71.959977
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -147.047748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.047748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.047748 (E_RNA)
where:
Base-Base interactions energy: -85.653
where: short stacking energy: -49.911
Base-Backbone interact. energy: -0.018
local terms energy: -61.376580
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -9.307
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: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -147.918392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.918392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.918392 (E_RNA)
where:
Base-Base interactions energy: -83.812
where: short stacking energy: -34.973
Base-Backbone interact. energy: -0.087
local terms energy: -64.019892
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -8.882
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: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -84.714458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714458 (E_RNA)
where:
Base-Base interactions energy: -43.780
where: short stacking energy: -34.484
Base-Backbone interact. energy: -0.152
local terms energy: -40.782376
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -3.212
tors. eta vs tors. theta energy: -7.129
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: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -72.592442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.592442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.592442 (E_RNA)
where:
Base-Base interactions energy: -24.233
where: short stacking energy: -24.233
Base-Backbone interact. energy: -2.168
local terms energy: -46.191233
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -76.236285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.236285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.236285 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -23.521
Base-Backbone interact. energy: -0.244
local terms energy: -50.257453
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -73.927958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.927958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.927958 (E_RNA)
where:
Base-Base interactions energy: -23.537
where: short stacking energy: -23.537
Base-Backbone interact. energy: -0.399
local terms energy: -49.992298
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -207.282719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.282719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.282719 (E_RNA)
where:
Base-Base interactions energy: -132.721
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.004
local terms energy: -74.558580
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.454
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: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -199.879793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.879793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.879793 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -61.005
Base-Backbone interact. energy: 0.345
local terms energy: -72.207720
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -196.125104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.125104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.125104 (E_RNA)
where:
Base-Base interactions energy: -133.387
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.156
local terms energy: -62.581824
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -193.224477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.224477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.224477 (E_RNA)
where:
Base-Base interactions energy: -122.482
where: short stacking energy: -54.499
Base-Backbone interact. energy: -0.106
local terms energy: -70.636633
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -161.301106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.301106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.301106 (E_RNA)
where:
Base-Base interactions energy: -100.582
where: short stacking energy: -49.546
Base-Backbone interact. energy: 0.212
local terms energy: -60.930906
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -152.337646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.337646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.337646 (E_RNA)
where:
Base-Base interactions energy: -98.864
where: short stacking energy: -34.307
Base-Backbone interact. energy: 0.594
local terms energy: -54.068231
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -10.275
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: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -81.906463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.906463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.906463 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.171
local terms energy: -49.828655
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -10.194
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: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -82.402771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.402771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.402771 (E_RNA)
where:
Base-Base interactions energy: -36.643
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.124
local terms energy: -45.636482
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -94.214176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.214176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.214176 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -36.453
Base-Backbone interact. energy: -0.076
local terms energy: -57.685122
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -4.542
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: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -73.513031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.513031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.513031 (E_RNA)
where:
Base-Base interactions energy: -21.649
where: short stacking energy: -21.649
Base-Backbone interact. energy: -0.044
local terms energy: -51.820548
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -213.256332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.256332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.256332 (E_RNA)
where:
Base-Base interactions energy: -139.757
where: short stacking energy: -63.621
Base-Backbone interact. energy: -0.101
local terms energy: -73.397603
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -202.363182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.363182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.363182 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -53.632
Base-Backbone interact. energy: 0.624
local terms energy: -74.692517
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -10.823
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: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -199.634731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.634731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.634731 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.085
local terms energy: -70.340431
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -193.576448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.576448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.576448 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -54.923
Base-Backbone interact. energy: -0.015
local terms energy: -68.435130
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -18.780
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: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -160.169195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.169195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.169195 (E_RNA)
where:
Base-Base interactions energy: -99.804
where: short stacking energy: -42.630
Base-Backbone interact. energy: -1.900
local terms energy: -58.465181
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -157.112094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.112094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.112094 (E_RNA)
where:
Base-Base interactions energy: -101.614
where: short stacking energy: -42.646
Base-Backbone interact. energy: -0.091
local terms energy: -55.406997
where:
bonds (distance) C4'-P energy: -7.745
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -7.767
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: 442
Temperature: 1.200000
Total energy: -92.979650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.979650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.979650 (E_RNA)
where:
Base-Base interactions energy: -45.241
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.069
local terms energy: -47.669627
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -86.714657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.714657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.714657 (E_RNA)
where:
Base-Base interactions energy: -36.466
where: short stacking energy: -18.346
Base-Backbone interact. energy: -0.574
local terms energy: -49.674805
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: 0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -76.490527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.490527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.490527 (E_RNA)
where:
Base-Base interactions energy: -22.436
where: short stacking energy: -21.773
Base-Backbone interact. energy: -0.016
local terms energy: -54.038498
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -5.950
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: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -77.786010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.786010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.786010 (E_RNA)
where:
Base-Base interactions energy: -40.316
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.065
local terms energy: -37.405160
where:
bonds (distance) C4'-P energy: -8.987
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -1.091
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -204.411504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.411504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.411504 (E_RNA)
where:
Base-Base interactions energy: -132.291
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.068
local terms energy: -72.052046
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -207.595057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.595057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.595057 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.054
local terms energy: -73.362856
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -196.029368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.029368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.029368 (E_RNA)
where:
Base-Base interactions energy: -127.108
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.082
local terms energy: -68.839210
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -205.262883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.262883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.262883 (E_RNA)
where:
Base-Base interactions energy: -137.391
where: short stacking energy: -59.028
Base-Backbone interact. energy: -0.606
local terms energy: -67.266066
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -7.893
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: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -160.207049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.207049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.207049 (E_RNA)
where:
Base-Base interactions energy: -97.445
where: short stacking energy: -50.799
Base-Backbone interact. energy: -0.109
local terms energy: -62.653111
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -13.391
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: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -158.039651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.039651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.039651 (E_RNA)
where:
Base-Base interactions energy: -92.898
where: short stacking energy: -45.838
Base-Backbone interact. energy: 0.797
local terms energy: -65.938345
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -14.268
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: 443
Temperature: 1.200000
Total energy: -85.393602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393602 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -25.153
Base-Backbone interact. energy: 0.243
local terms energy: -53.176212
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -2.841
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: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -80.788786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.788786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.788786 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -19.423
Base-Backbone interact. energy: -0.150
local terms energy: -48.222258
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.608
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: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -74.439302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.439302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.439302 (E_RNA)
where:
Base-Base interactions energy: -26.205
where: short stacking energy: -25.902
Base-Backbone interact. energy: -0.053
local terms energy: -48.181102
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -73.898347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.898347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.898347 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.042
local terms energy: -42.926431
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: 1.656
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -211.435358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.435358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.435358 (E_RNA)
where:
Base-Base interactions energy: -139.179
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.120
local terms energy: -72.136598
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -197.574238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.574238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.574238 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.100
local terms energy: -71.535673
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -18.636
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: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -193.750433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.750433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.750433 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -59.780
Base-Backbone interact. energy: -0.289
local terms energy: -67.838076
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -14.997
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: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -190.220990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.220990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.220990 (E_RNA)
where:
Base-Base interactions energy: -121.292
where: short stacking energy: -57.434
Base-Backbone interact. energy: -0.017
local terms energy: -68.911399
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -153.692975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.692975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.692975 (E_RNA)
where:
Base-Base interactions energy: -97.541
where: short stacking energy: -41.515
Base-Backbone interact. energy: -0.357
local terms energy: -55.794449
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -10.109
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: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -156.831908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.831908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.831908 (E_RNA)
where:
Base-Base interactions energy: -96.850
where: short stacking energy: -39.133
Base-Backbone interact. energy: -0.557
local terms energy: -59.424682
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -8.793
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: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -83.568393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568393 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.138
local terms energy: -50.314131
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -79.338168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.338168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.338168 (E_RNA)
where:
Base-Base interactions energy: -24.851
where: short stacking energy: -22.886
Base-Backbone interact. energy: -0.480
local terms energy: -54.007377
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -73.546282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.546282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.546282 (E_RNA)
where:
Base-Base interactions energy: -24.816
where: short stacking energy: -18.026
Base-Backbone interact. energy: -0.011
local terms energy: -48.719481
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -2.578
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: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -84.927274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.927274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.927274 (E_RNA)
where:
Base-Base interactions energy: -41.285
where: short stacking energy: -26.515
Base-Backbone interact. energy: 1.232
local terms energy: -44.873843
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -205.859842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859842 (E_RNA)
where:
Base-Base interactions energy: -131.471
where: short stacking energy: -61.438
Base-Backbone interact. energy: -0.003
local terms energy: -74.385521
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -199.061383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.061383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.061383 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.062
local terms energy: -67.347125
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -186.396532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.396532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.396532 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.005
local terms energy: -68.765397
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -193.737476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737476 (E_RNA)
where:
Base-Base interactions energy: -133.288
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.004
local terms energy: -60.446326
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -16.365
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -145.465107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.465107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.465107 (E_RNA)
where:
Base-Base interactions energy: -86.537
where: short stacking energy: -41.893
Base-Backbone interact. energy: -0.011
local terms energy: -58.916628
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -165.603390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.603390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.603390 (E_RNA)
where:
Base-Base interactions energy: -108.945
where: short stacking energy: -48.358
Base-Backbone interact. energy: 0.957
local terms energy: -57.615341
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -13.314
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -87.464190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.464190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.464190 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -31.490
Base-Backbone interact. energy: -0.000
local terms energy: -54.373759
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -82.906165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.906165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.906165 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.810
local terms energy: -45.811833
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -88.519199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.519199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.519199 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -26.399
Base-Backbone interact. energy: -0.324
local terms energy: -49.859193
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -85.664515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.664515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.664515 (E_RNA)
where:
Base-Base interactions energy: -48.630
where: short stacking energy: -29.273
Base-Backbone interact. energy: -0.087
local terms energy: -36.947476
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -197.287191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.287191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.287191 (E_RNA)
where:
Base-Base interactions energy: -126.573
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.060
local terms energy: -70.654214
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.918
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: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -197.752818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.752818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.752818 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.001
local terms energy: -67.742437
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -207.338761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.338761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.338761 (E_RNA)
where:
Base-Base interactions energy: -135.830
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.016
local terms energy: -71.492295
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -19.173
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: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -193.331367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.331367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.331367 (E_RNA)
where:
Base-Base interactions energy: -121.821
where: short stacking energy: -52.818
Base-Backbone interact. energy: -0.011
local terms energy: -71.498424
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -15.173
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: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -149.572906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.572906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.572906 (E_RNA)
where:
Base-Base interactions energy: -86.622
where: short stacking energy: -43.296
Base-Backbone interact. energy: -0.108
local terms energy: -62.842708
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -10.034
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -142.365837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.365837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.365837 (E_RNA)
where:
Base-Base interactions energy: -86.286
where: short stacking energy: -40.851
Base-Backbone interact. energy: -0.166
local terms energy: -55.913046
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -7.597
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: 446
Temperature: 1.200000
Total energy: -114.775985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.775985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.775985 (E_RNA)
where:
Base-Base interactions energy: -74.853
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.228
local terms energy: -39.694751
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -94.281848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.281848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.281848 (E_RNA)
where:
Base-Base interactions energy: -41.185
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.113
local terms energy: -52.983737
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -81.340075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340075 (E_RNA)
where:
Base-Base interactions energy: -33.650
where: short stacking energy: -25.074
Base-Backbone interact. energy: -1.751
local terms energy: -45.939098
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -69.278814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.278814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.278814 (E_RNA)
where:
Base-Base interactions energy: -16.859
where: short stacking energy: -16.859
Base-Backbone interact. energy: -0.256
local terms energy: -52.163554
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -10.179
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: 447
Temperature: 0.900000
Total energy: -201.091173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.091173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.091173 (E_RNA)
where:
Base-Base interactions energy: -128.660
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.075
local terms energy: -72.356372
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -201.655665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655665 (E_RNA)
where:
Base-Base interactions energy: -130.200
where: short stacking energy: -61.788
Base-Backbone interact. energy: -0.579
local terms energy: -70.876616
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -198.429374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.429374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.429374 (E_RNA)
where:
Base-Base interactions energy: -128.200
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.005
local terms energy: -70.224940
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -191.101572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.101572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.101572 (E_RNA)
where:
Base-Base interactions energy: -131.906
where: short stacking energy: -58.894
Base-Backbone interact. energy: 3.116
local terms energy: -62.311600
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -141.833038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.833038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.833038 (E_RNA)
where:
Base-Base interactions energy: -87.440
where: short stacking energy: -40.265
Base-Backbone interact. energy: -0.132
local terms energy: -54.261155
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -142.294455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.294455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.294455 (E_RNA)
where:
Base-Base interactions energy: -86.235
where: short stacking energy: -37.790
Base-Backbone interact. energy: -1.021
local terms energy: -55.038688
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -107.537826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.537826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.537826 (E_RNA)
where:
Base-Base interactions energy: -60.276
where: short stacking energy: -35.572
Base-Backbone interact. energy: -0.192
local terms energy: -47.069658
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -2.930
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: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -114.626741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.626741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.626741 (E_RNA)
where:
Base-Base interactions energy: -67.039
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.206
local terms energy: -47.381959
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -7.548
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: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -100.115357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.115357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.115357 (E_RNA)
where:
Base-Base interactions energy: -47.293
where: short stacking energy: -36.331
Base-Backbone interact. energy: -0.035
local terms energy: -52.788257
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -69.990648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.990648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.990648 (E_RNA)
where:
Base-Base interactions energy: -18.407
where: short stacking energy: -18.407
Base-Backbone interact. energy: -0.064
local terms energy: -51.520445
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -5.967
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -199.825166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.825166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.825166 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.004
local terms energy: -67.130964
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -200.921340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.921340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.921340 (E_RNA)
where:
Base-Base interactions energy: -131.290
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.160
local terms energy: -69.471560
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -187.417867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.417867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.417867 (E_RNA)
where:
Base-Base interactions energy: -115.363
where: short stacking energy: -54.573
Base-Backbone interact. energy: -0.091
local terms energy: -71.963880
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -16.307
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: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -183.032720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.032720 (E_RNA)
where:
Base-Base interactions energy: -112.785
where: short stacking energy: -46.603
Base-Backbone interact. energy: -0.003
local terms energy: -70.243917
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -16.877
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -143.591555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.591555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.591555 (E_RNA)
where:
Base-Base interactions energy: -82.351
where: short stacking energy: -34.969
Base-Backbone interact. energy: -0.299
local terms energy: -60.941640
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -106.319756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.319756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.319756 (E_RNA)
where:
Base-Base interactions energy: -53.911
where: short stacking energy: -34.606
Base-Backbone interact. energy: -0.946
local terms energy: -51.462912
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -4.291
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: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -86.527578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.527578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.527578 (E_RNA)
where:
Base-Base interactions energy: -44.743
where: short stacking energy: -20.947
Base-Backbone interact. energy: -0.369
local terms energy: -41.416115
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -105.281613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.281613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.281613 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.016
local terms energy: -61.609399
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -9.873
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: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -89.409012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.409012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.409012 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -23.915
Base-Backbone interact. energy: -0.106
local terms energy: -49.866524
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -71.992980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.992980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.992980 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -17.146
Base-Backbone interact. energy: -0.911
local terms energy: -43.251978
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: 3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -204.712175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.712175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.712175 (E_RNA)
where:
Base-Base interactions energy: -129.863
where: short stacking energy: -61.488
Base-Backbone interact. energy: -0.003
local terms energy: -74.845902
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.571
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: 449
Temperature: 0.950000
Total energy: -203.890395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.890395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.890395 (E_RNA)
where:
Base-Base interactions energy: -130.543
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.069
local terms energy: -73.278000
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -18.107
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: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -185.907072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.907072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.907072 (E_RNA)
where:
Base-Base interactions energy: -115.009
where: short stacking energy: -54.324
Base-Backbone interact. energy: -0.002
local terms energy: -70.896005
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -20.771
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: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -168.265010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.265010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.265010 (E_RNA)
where:
Base-Base interactions energy: -112.107
where: short stacking energy: -48.002
Base-Backbone interact. energy: -0.158
local terms energy: -55.999674
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -5.223
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -7.317
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: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -151.233199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.233199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.233199 (E_RNA)
where:
Base-Base interactions energy: -92.931
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.151
local terms energy: -58.151273
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -11.994
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -118.663421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.663421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.663421 (E_RNA)
where:
Base-Base interactions energy: -66.119
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.086
local terms energy: -52.458704
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -8.846
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: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -91.697719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.697719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.697719 (E_RNA)
where:
Base-Base interactions energy: -35.512
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.817
local terms energy: -55.368700
where:
bonds (distance) C4'-P energy: -8.308
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -85.549432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.549432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.549432 (E_RNA)
where:
Base-Base interactions energy: -40.490
where: short stacking energy: -22.580
Base-Backbone interact. energy: -1.403
local terms energy: -43.656333
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -6.035
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -1.277
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: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -73.014932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.014932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.014932 (E_RNA)
where:
Base-Base interactions energy: -25.400
where: short stacking energy: -25.400
Base-Backbone interact. energy: -0.077
local terms energy: -47.537918
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -68.947974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.947974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.947974 (E_RNA)
where:
Base-Base interactions energy: -22.324
where: short stacking energy: -16.149
Base-Backbone interact. energy: -0.148
local terms energy: -46.476263
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -203.514913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.514913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.514913 (E_RNA)
where:
Base-Base interactions energy: -137.625
where: short stacking energy: -68.010
Base-Backbone interact. energy: -0.017
local terms energy: -65.873414
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -199.057943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.057943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.057943 (E_RNA)
where:
Base-Base interactions energy: -127.999
where: short stacking energy: -54.676
Base-Backbone interact. energy: -0.028
local terms energy: -71.031204
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -195.454115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.454115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.454115 (E_RNA)
where:
Base-Base interactions energy: -128.033
where: short stacking energy: -62.959
Base-Backbone interact. energy: 0.526
local terms energy: -67.947570
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -173.278295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.278295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.278295 (E_RNA)
where:
Base-Base interactions energy: -112.764
where: short stacking energy: -45.579
Base-Backbone interact. energy: -0.350
local terms energy: -60.165164
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -3.879
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: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -154.746739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.746739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.746739 (E_RNA)
where:
Base-Base interactions energy: -97.236
where: short stacking energy: -52.839
Base-Backbone interact. energy: 1.648
local terms energy: -59.158107
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -142.042365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.042365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.042365 (E_RNA)
where:
Base-Base interactions energy: -77.434
where: short stacking energy: -39.910
Base-Backbone interact. energy: -0.278
local terms energy: -64.331214
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -95.755224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.755224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.755224 (E_RNA)
where:
Base-Base interactions energy: -39.782
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.217
local terms energy: -55.756187
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -4.860
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: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -110.573073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.573073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.573073 (E_RNA)
where:
Base-Base interactions energy: -55.113
where: short stacking energy: -32.327
Base-Backbone interact. energy: -0.448
local terms energy: -55.012296
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.240
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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -89.244073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.244073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.244073 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -33.167
Base-Backbone interact. energy: -0.147
local terms energy: -56.530183
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -7.972
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: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -63.677044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.677044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.677044 (E_RNA)
where:
Base-Base interactions energy: -19.987
where: short stacking energy: -19.422
Base-Backbone interact. energy: -0.212
local terms energy: -43.477559
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -5.428
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -206.406219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.406219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.406219 (E_RNA)
where:
Base-Base interactions energy: -136.856
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.002
local terms energy: -69.547869
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -197.660234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.660234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.660234 (E_RNA)
where:
Base-Base interactions energy: -128.198
where: short stacking energy: -64.908
Base-Backbone interact. energy: -0.033
local terms energy: -69.429057
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -190.837427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.837427 (E_RNA)
where:
Base-Base interactions energy: -128.335
where: short stacking energy: -54.102
Base-Backbone interact. energy: -0.034
local terms energy: -62.468505
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -162.349837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.349837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.349837 (E_RNA)
where:
Base-Base interactions energy: -100.335
where: short stacking energy: -38.717
Base-Backbone interact. energy: -0.336
local terms energy: -61.679427
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -157.653978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.653978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.653978 (E_RNA)
where:
Base-Base interactions energy: -96.917
where: short stacking energy: -37.163
Base-Backbone interact. energy: -0.760
local terms energy: -59.976678
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -13.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -141.436183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.436183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.436183 (E_RNA)
where:
Base-Base interactions energy: -94.586
where: short stacking energy: -45.352
Base-Backbone interact. energy: -1.854
local terms energy: -44.996667
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -9.749
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: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -115.089855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.089855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.089855 (E_RNA)
where:
Base-Base interactions energy: -68.690
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.189
local terms energy: -46.210459
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -4.878
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: 451
Temperature: 1.250000
Total energy: -108.777076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.777076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.777076 (E_RNA)
where:
Base-Base interactions energy: -50.251
where: short stacking energy: -22.443
Base-Backbone interact. energy: -0.074
local terms energy: -58.452727
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -10.687
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -79.191051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.191051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.191051 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -31.507
Base-Backbone interact. energy: -0.039
local terms energy: -47.645439
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -78.845872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.845872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.845872 (E_RNA)
where:
Base-Base interactions energy: -34.923
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.205
local terms energy: -43.718511
where:
bonds (distance) C4'-P energy: -9.319
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -5.304
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: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -200.613636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.613636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.613636 (E_RNA)
where:
Base-Base interactions energy: -131.448
where: short stacking energy: -61.863
Base-Backbone interact. energy: -0.305
local terms energy: -68.860164
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -199.581386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.581386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.581386 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -53.819
Base-Backbone interact. energy: -0.009
local terms energy: -68.794934
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -202.398493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398493 (E_RNA)
where:
Base-Base interactions energy: -128.808
where: short stacking energy: -56.085
Base-Backbone interact. energy: -0.004
local terms energy: -73.586199
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -6.525
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: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -153.739307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.739307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.739307 (E_RNA)
where:
Base-Base interactions energy: -90.651
where: short stacking energy: -42.196
Base-Backbone interact. energy: 0.075
local terms energy: -63.163214
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -10.565
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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -154.494437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.494437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.494437 (E_RNA)
where:
Base-Base interactions energy: -103.785
where: short stacking energy: -40.578
Base-Backbone interact. energy: -0.679
local terms energy: -50.030572
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -125.411257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.411257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.411257 (E_RNA)
where:
Base-Base interactions energy: -83.357
where: short stacking energy: -39.062
Base-Backbone interact. energy: -0.275
local terms energy: -41.780175
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -5.131
flat angles P-C4'-P energy: -5.879
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -92.879771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.879771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.879771 (E_RNA)
where:
Base-Base interactions energy: -42.378
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.148
local terms energy: -50.354317
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -86.192909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.192909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.192909 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -30.288
Base-Backbone interact. energy: -1.093
local terms energy: -51.656774
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -74.277714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.277714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.277714 (E_RNA)
where:
Base-Base interactions energy: -28.694
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.057
local terms energy: -45.527439
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: 1.150
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: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -70.784483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.784483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.784483 (E_RNA)
where:
Base-Base interactions energy: -24.388
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.089
local terms energy: -46.307190
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -1.339
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: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -198.954550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.954550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.954550 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.106
local terms energy: -74.418802
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -200.538992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.538992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.538992 (E_RNA)
where:
Base-Base interactions energy: -134.141
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.232
local terms energy: -66.165944
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -191.530393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.530393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.530393 (E_RNA)
where:
Base-Base interactions energy: -124.828
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.617
local terms energy: -66.085540
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -16.638
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: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -171.347593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.347593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.347593 (E_RNA)
where:
Base-Base interactions energy: -115.246
where: short stacking energy: -37.219
Base-Backbone interact. energy: -0.125
local terms energy: -55.977134
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -147.399964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.399964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.399964 (E_RNA)
where:
Base-Base interactions energy: -94.232
where: short stacking energy: -42.022
Base-Backbone interact. energy: -0.177
local terms energy: -52.991045
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -100.137310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.137310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.137310 (E_RNA)
where:
Base-Base interactions energy: -54.658
where: short stacking energy: -22.375
Base-Backbone interact. energy: -0.356
local terms energy: -45.123478
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -9.121
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: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -76.995070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.995070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.995070 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -21.030
Base-Backbone interact. energy: 0.258
local terms energy: -51.340414
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.330
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: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -89.407994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407994 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -38.693
Base-Backbone interact. energy: -0.006
local terms energy: -50.708958
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -75.752114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.752114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.752114 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -23.266
Base-Backbone interact. energy: -0.041
local terms energy: -48.001149
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.680
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: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -68.418983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.418983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.418983 (E_RNA)
where:
Base-Base interactions energy: -20.458
where: short stacking energy: -20.458
Base-Backbone interact. energy: -0.114
local terms energy: -47.846736
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -205.034062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.034062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.034062 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -49.625
Base-Backbone interact. energy: -0.034
local terms energy: -73.380665
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -200.006469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.006469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.006469 (E_RNA)
where:
Base-Base interactions energy: -128.069
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.091
local terms energy: -71.846248
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -200.421022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.421022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.421022 (E_RNA)
where:
Base-Base interactions energy: -133.681
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.039
local terms energy: -66.700581
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -183.125420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.125420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.125420 (E_RNA)
where:
Base-Base interactions energy: -116.183
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.019
local terms energy: -66.923610
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.229
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: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -173.547383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.547383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.547383 (E_RNA)
where:
Base-Base interactions energy: -115.978
where: short stacking energy: -49.187
Base-Backbone interact. energy: 0.293
local terms energy: -57.862406
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -11.919
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: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -97.310914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.310914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.310914 (E_RNA)
where:
Base-Base interactions energy: -53.895
where: short stacking energy: -18.937
Base-Backbone interact. energy: -0.400
local terms energy: -43.015489
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -93.812678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.812678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.812678 (E_RNA)
where:
Base-Base interactions energy: -41.764
where: short stacking energy: -33.762
Base-Backbone interact. energy: -0.244
local terms energy: -51.805136
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -92.617515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.617515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.617515 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.088
local terms energy: -54.414413
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -77.057906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.057906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.057906 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.062
local terms energy: -46.714623
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -4.782
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: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -75.595009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.595009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.595009 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.035
local terms energy: -41.359087
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -1.588
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -211.712159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712159 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -56.893
Base-Backbone interact. energy: -0.209
local terms energy: -71.827709
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -7.918
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: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -203.973407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.973407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.973407 (E_RNA)
where:
Base-Base interactions energy: -137.465
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.093
local terms energy: -66.415567
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -19.343
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: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -206.193600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.193600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.193600 (E_RNA)
where:
Base-Base interactions energy: -142.063
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.006
local terms energy: -64.124993
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -17.565
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: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -161.585609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.585609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.585609 (E_RNA)
where:
Base-Base interactions energy: -108.522
where: short stacking energy: -41.162
Base-Backbone interact. energy: -0.375
local terms energy: -52.689208
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -6.553
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: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -150.731472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.731472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.731472 (E_RNA)
where:
Base-Base interactions energy: -89.513
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.768
local terms energy: -60.451129
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -85.654223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.654223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.654223 (E_RNA)
where:
Base-Base interactions energy: -33.215
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.246
local terms energy: -52.193779
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -2.938
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: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -95.541033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.541033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.541033 (E_RNA)
where:
Base-Base interactions energy: -41.717
where: short stacking energy: -32.501
Base-Backbone interact. energy: -0.051
local terms energy: -53.773437
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -76.059473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.059473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.059473 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -26.788
Base-Backbone interact. energy: -0.061
local terms energy: -45.434599
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -75.993425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.993425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.993425 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -27.134
Base-Backbone interact. energy: -0.071
local terms energy: -48.788636
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -70.610758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.610758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.610758 (E_RNA)
where:
Base-Base interactions energy: -28.842
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.169
local terms energy: -41.599252
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: -3.497
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: 456
Temperature: 0.900000
Total energy: -202.371621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.371621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.371621 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.001
local terms energy: -69.102767
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.610
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: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -195.724328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.724328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.724328 (E_RNA)
where:
Base-Base interactions energy: -125.886
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.174
local terms energy: -69.664504
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.564
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: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -196.770057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.770057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.770057 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.933
local terms energy: -67.019960
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -16.805
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: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -164.164389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.164389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.164389 (E_RNA)
where:
Base-Base interactions energy: -102.351
where: short stacking energy: -49.388
Base-Backbone interact. energy: -0.194
local terms energy: -61.619638
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -9.903
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: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -162.624212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.624212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.624212 (E_RNA)
where:
Base-Base interactions energy: -97.417
where: short stacking energy: -43.089
Base-Backbone interact. energy: -0.089
local terms energy: -65.117878
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -12.741
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: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -90.058644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.058644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.058644 (E_RNA)
where:
Base-Base interactions energy: -46.421
where: short stacking energy: -30.465
Base-Backbone interact. energy: 0.366
local terms energy: -44.003585
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -86.896415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.896415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.896415 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.083
local terms energy: -56.308365
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -81.079022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.079022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.079022 (E_RNA)
where:
Base-Base interactions energy: -25.943
where: short stacking energy: -19.169
Base-Backbone interact. energy: -0.171
local terms energy: -54.964538
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -76.096075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.096075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.096075 (E_RNA)
where:
Base-Base interactions energy: -25.038
where: short stacking energy: -24.888
Base-Backbone interact. energy: -0.189
local terms energy: -50.868872
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -70.815237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.815237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.815237 (E_RNA)
where:
Base-Base interactions energy: -29.150
where: short stacking energy: -25.160
Base-Backbone interact. energy: -0.030
local terms energy: -41.635509
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -3.564
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: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -207.825537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.825537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.825537 (E_RNA)
where:
Base-Base interactions energy: -140.201
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.217
local terms energy: -67.407646
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -200.407088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.407088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.407088 (E_RNA)
where:
Base-Base interactions energy: -133.811
where: short stacking energy: -52.800
Base-Backbone interact. energy: 0.238
local terms energy: -66.834044
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -17.146
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: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -205.253728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.253728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.253728 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -64.940
Base-Backbone interact. energy: -0.298
local terms energy: -70.671129
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -161.330822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.330822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.330822 (E_RNA)
where:
Base-Base interactions energy: -98.018
where: short stacking energy: -50.241
Base-Backbone interact. energy: -0.228
local terms energy: -63.084814
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -11.267
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: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -157.826351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.826351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.826351 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -50.259
Base-Backbone interact. energy: -0.332
local terms energy: -57.888265
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -11.881
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -94.880049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880049 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -33.708
Base-Backbone interact. energy: -0.063
local terms energy: -59.245566
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -80.590794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.590794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.590794 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -21.200
Base-Backbone interact. energy: -0.997
local terms energy: -43.938228
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -0.662
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: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -98.377503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.377503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.377503 (E_RNA)
where:
Base-Base interactions energy: -44.210
where: short stacking energy: -32.135
Base-Backbone interact. energy: 0.189
local terms energy: -54.356408
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -5.818
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: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -79.993270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.993270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.993270 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -31.166
Base-Backbone interact. energy: -0.003
local terms energy: -48.824794
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -7.826
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: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -71.332544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.332544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.332544 (E_RNA)
where:
Base-Base interactions energy: -21.642
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.067
local terms energy: -49.622768
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -202.722020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722020 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.049
local terms energy: -66.071014
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -209.074796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.074796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.074796 (E_RNA)
where:
Base-Base interactions energy: -137.929
where: short stacking energy: -58.710
Base-Backbone interact. energy: -0.548
local terms energy: -70.597213
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -207.237528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.237528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.237528 (E_RNA)
where:
Base-Base interactions energy: -135.531
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.351
local terms energy: -71.355013
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.136
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: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -188.385655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.385655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.385655 (E_RNA)
where:
Base-Base interactions energy: -122.129
where: short stacking energy: -49.746
Base-Backbone interact. energy: -0.527
local terms energy: -65.730181
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -7.826
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: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -90.893440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.893440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.893440 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -26.070
Base-Backbone interact. energy: 1.286
local terms energy: -58.243287
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -141.764382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.764382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.764382 (E_RNA)
where:
Base-Base interactions energy: -84.387
where: short stacking energy: -44.093
Base-Backbone interact. energy: 0.211
local terms energy: -57.587982
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -5.275
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: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -101.963955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.963955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.963955 (E_RNA)
where:
Base-Base interactions energy: -47.929
where: short stacking energy: -46.023
Base-Backbone interact. energy: -0.111
local terms energy: -53.924083
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -6.654
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: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -80.723764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723764 (E_RNA)
where:
Base-Base interactions energy: -31.153
where: short stacking energy: -26.093
Base-Backbone interact. energy: -0.079
local terms energy: -49.491433
where:
bonds (distance) C4'-P energy: -6.859
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -74.310498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.310498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.310498 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -24.012
Base-Backbone interact. energy: -0.490
local terms energy: -47.202943
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -2.325
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: 458
Temperature: 1.350000
Total energy: -67.942623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.942623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.942623 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -18.895
Base-Backbone interact. energy: -0.315
local terms energy: -41.683513
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: 3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -206.067373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.067373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.067373 (E_RNA)
where:
Base-Base interactions energy: -132.755
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.059
local terms energy: -73.254036
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -16.805
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: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -194.312473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.312473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.312473 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.048
local terms energy: -68.120152
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -200.034616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.034616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.034616 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -58.028
Base-Backbone interact. energy: -0.093
local terms energy: -71.788216
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -190.177693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.177693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.177693 (E_RNA)
where:
Base-Base interactions energy: -131.361
where: short stacking energy: -56.922
Base-Backbone interact. energy: 0.057
local terms energy: -58.874105
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -88.924838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.924838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.924838 (E_RNA)
where:
Base-Base interactions energy: -39.729
where: short stacking energy: -39.522
Base-Backbone interact. energy: 0.360
local terms energy: -49.554979
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -99.973717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.973717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.973717 (E_RNA)
where:
Base-Base interactions energy: -42.555
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.212
local terms energy: -57.206675
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -90.742756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.742756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.742756 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -38.518
Base-Backbone interact. energy: -0.027
local terms energy: -52.197345
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -74.946069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.946069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.946069 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -21.973
Base-Backbone interact. energy: 0.156
local terms energy: -45.663841
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -76.048088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.048088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.048088 (E_RNA)
where:
Base-Base interactions energy: -32.022
where: short stacking energy: -27.323
Base-Backbone interact. energy: -1.268
local terms energy: -42.757596
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -7.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -74.560508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.560508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.560508 (E_RNA)
where:
Base-Base interactions energy: -24.181
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.517
local terms energy: -49.862810
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -200.210831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.210831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.210831 (E_RNA)
where:
Base-Base interactions energy: -123.059
where: short stacking energy: -52.641
Base-Backbone interact. energy: -0.052
local terms energy: -77.100222
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -18.393
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: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -209.281863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.281863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281863 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.107
local terms energy: -71.610107
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -205.261275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261275 (E_RNA)
where:
Base-Base interactions energy: -135.020
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.072
local terms energy: -70.169142
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -181.326363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.326363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.326363 (E_RNA)
where:
Base-Base interactions energy: -111.459
where: short stacking energy: -56.388
Base-Backbone interact. energy: -0.030
local terms energy: -69.837396
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -120.355894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.355894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.355894 (E_RNA)
where:
Base-Base interactions energy: -59.185
where: short stacking energy: -34.324
Base-Backbone interact. energy: -0.089
local terms energy: -61.081832
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -91.525502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.525502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.525502 (E_RNA)
where:
Base-Base interactions energy: -39.085
where: short stacking energy: -18.615
Base-Backbone interact. energy: -0.033
local terms energy: -52.407316
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -87.752039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752039 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -31.163
Base-Backbone interact. energy: 0.872
local terms energy: -57.460426
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -9.461
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: 2
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -80.242108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.242108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.242108 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -26.051
Base-Backbone interact. energy: -0.132
local terms energy: -48.579523
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -9.102
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -85.010103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.010103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.010103 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.017
local terms energy: -52.246911
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -83.978888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978888 (E_RNA)
where:
Base-Base interactions energy: -37.461
where: short stacking energy: -11.401
Base-Backbone interact. energy: -0.455
local terms energy: -46.063349
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -204.810070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.810070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.810070 (E_RNA)
where:
Base-Base interactions energy: -137.220
where: short stacking energy: -50.567
Base-Backbone interact. energy: -0.065
local terms energy: -67.524443
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -211.144215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.144215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.144215 (E_RNA)
where:
Base-Base interactions energy: -142.654
where: short stacking energy: -63.064
Base-Backbone interact. energy: 1.052
local terms energy: -69.542103
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -20.281
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: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -164.022724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.022724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.022724 (E_RNA)
where:
Base-Base interactions energy: -109.884
where: short stacking energy: -51.358
Base-Backbone interact. energy: 1.923
local terms energy: -56.061390
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -162.591705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.591705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.591705 (E_RNA)
where:
Base-Base interactions energy: -93.460
where: short stacking energy: -46.734
Base-Backbone interact. energy: -0.565
local terms energy: -68.567109
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -12.866
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: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -123.257396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.257396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.257396 (E_RNA)
where:
Base-Base interactions energy: -66.240
where: short stacking energy: -39.165
Base-Backbone interact. energy: -0.009
local terms energy: -57.008114
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -84.108105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.108105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.108105 (E_RNA)
where:
Base-Base interactions energy: -26.973
where: short stacking energy: -21.486
Base-Backbone interact. energy: 0.576
local terms energy: -57.711146
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -1.480
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: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -75.308363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.308363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.308363 (E_RNA)
where:
Base-Base interactions energy: -29.969
where: short stacking energy: -15.511
Base-Backbone interact. energy: -0.220
local terms energy: -45.119184
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -85.156883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.156883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.156883 (E_RNA)
where:
Base-Base interactions energy: -28.993
where: short stacking energy: -19.766
Base-Backbone interact. energy: -0.003
local terms energy: -56.161792
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -77.749859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.749859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.749859 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -24.180
Base-Backbone interact. energy: -0.235
local terms energy: -49.440605
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.622
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: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -71.665580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.665580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.665580 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -27.415
Base-Backbone interact. energy: -0.095
local terms energy: -44.746398
where:
bonds (distance) C4'-P energy: -6.201
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -4.668
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: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -206.279853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.279853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.279853 (E_RNA)
where:
Base-Base interactions energy: -136.485
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.003
local terms energy: -69.791987
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -20.572
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: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -199.919015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.919015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.919015 (E_RNA)
where:
Base-Base interactions energy: -130.282
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.012
local terms energy: -69.624707
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -167.975563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.975563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.975563 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -49.712
Base-Backbone interact. energy: 0.188
local terms energy: -58.211494
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -8.030
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: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -153.145977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.145977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.145977 (E_RNA)
where:
Base-Base interactions energy: -93.666
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.082
local terms energy: -59.397961
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -122.586972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.586972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.586972 (E_RNA)
where:
Base-Base interactions energy: -68.467
where: short stacking energy: -41.939
Base-Backbone interact. energy: -0.158
local terms energy: -53.962527
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -99.356020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.356020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.356020 (E_RNA)
where:
Base-Base interactions energy: -43.547
where: short stacking energy: -30.054
Base-Backbone interact. energy: -0.048
local terms energy: -55.761060
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -82.507704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.507704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.507704 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -28.980
Base-Backbone interact. energy: -0.212
local terms energy: -53.015406
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -9.786
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -80.354064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.354064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.354064 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -22.453
Base-Backbone interact. energy: -0.273
local terms energy: -45.378438
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -77.718239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.718239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.718239 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.138
local terms energy: -46.214000
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -8.240
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -6.621
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: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -78.385801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.385801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.385801 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -21.478
Base-Backbone interact. energy: -0.945
local terms energy: -46.823173
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.842
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: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -205.755646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.755646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.755646 (E_RNA)
where:
Base-Base interactions energy: -128.352
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.137
local terms energy: -77.266415
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.733
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: 463
Temperature: 0.950000
Total energy: -195.128134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.128134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.128134 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -52.498
Base-Backbone interact. energy: -0.298
local terms energy: -68.633388
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -193.434883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.434883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.434883 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -56.135
Base-Backbone interact. energy: -0.010
local terms energy: -67.393215
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -124.052318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.052318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.052318 (E_RNA)
where:
Base-Base interactions energy: -65.186
where: short stacking energy: -35.501
Base-Backbone interact. energy: 0.767
local terms energy: -59.633607
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -7.096
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: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -150.781929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.781929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.781929 (E_RNA)
where:
Base-Base interactions energy: -91.584
where: short stacking energy: -49.823
Base-Backbone interact. energy: -0.793
local terms energy: -58.404778
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -13.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -91.912017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.912017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.912017 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -37.026
Base-Backbone interact. energy: -0.378
local terms energy: -47.410483
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -89.546281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546281 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -27.259
Base-Backbone interact. energy: -0.325
local terms energy: -53.165594
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -6.524
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -7.413
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: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -87.360342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.360342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.360342 (E_RNA)
where:
Base-Base interactions energy: -50.844
where: short stacking energy: -30.147
Base-Backbone interact. energy: 0.409
local terms energy: -36.925371
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.544
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: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -74.923726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.923726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.923726 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -19.355
Base-Backbone interact. energy: -0.114
local terms energy: -43.233706
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: 2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -77.589542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589542 (E_RNA)
where:
Base-Base interactions energy: -32.211
where: short stacking energy: -16.644
Base-Backbone interact. energy: -0.132
local terms energy: -45.246155
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.003
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: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -203.450372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.450372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.450372 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.069
local terms energy: -68.878451
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -195.393167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393167 (E_RNA)
where:
Base-Base interactions energy: -124.659
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.001
local terms energy: -70.733975
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -18.092
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: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -190.789082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.789082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.789082 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -50.982
Base-Backbone interact. energy: -0.094
local terms energy: -56.452604
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -12.780
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: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -153.670760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.670760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.670760 (E_RNA)
where:
Base-Base interactions energy: -93.539
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.608
local terms energy: -59.523581
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -7.433
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -146.236998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.236998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.236998 (E_RNA)
where:
Base-Base interactions energy: -91.517
where: short stacking energy: -53.164
Base-Backbone interact. energy: 0.011
local terms energy: -54.731751
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -95.498338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.498338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.498338 (E_RNA)
where:
Base-Base interactions energy: -46.651
where: short stacking energy: -32.373
Base-Backbone interact. energy: 0.599
local terms energy: -49.445943
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -5.441
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: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -104.199229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.199229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.199229 (E_RNA)
where:
Base-Base interactions energy: -59.595
where: short stacking energy: -24.379
Base-Backbone interact. energy: -0.266
local terms energy: -44.338405
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -90.140915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.140915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.140915 (E_RNA)
where:
Base-Base interactions energy: -41.612
where: short stacking energy: -28.574
Base-Backbone interact. energy: 0.312
local terms energy: -48.840970
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -87.565121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.565121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.565121 (E_RNA)
where:
Base-Base interactions energy: -32.727
where: short stacking energy: -22.129
Base-Backbone interact. energy: -0.385
local terms energy: -54.453305
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -4.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -81.420641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.420641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.420641 (E_RNA)
where:
Base-Base interactions energy: -35.538
where: short stacking energy: -35.538
Base-Backbone interact. energy: -0.167
local terms energy: -45.715250
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -4.998
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -196.581649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.581649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.581649 (E_RNA)
where:
Base-Base interactions energy: -116.303
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.135
local terms energy: -80.143871
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -197.027880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.027880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.027880 (E_RNA)
where:
Base-Base interactions energy: -118.396
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.608
local terms energy: -78.023939
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -14.142
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: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -200.862319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.862319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.862319 (E_RNA)
where:
Base-Base interactions energy: -131.824
where: short stacking energy: -60.034
Base-Backbone interact. energy: 0.525
local terms energy: -69.563564
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -19.408
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: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -165.490735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.490735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.490735 (E_RNA)
where:
Base-Base interactions energy: -112.477
where: short stacking energy: -34.849
Base-Backbone interact. energy: -0.220
local terms energy: -52.793565
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -2.372
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -145.635380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.635380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.635380 (E_RNA)
where:
Base-Base interactions energy: -90.968
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.099
local terms energy: -54.569170
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -78.198612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.198612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.198612 (E_RNA)
where:
Base-Base interactions energy: -26.488
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.074
local terms energy: -51.636936
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -92.402766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.402766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.402766 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -31.096
Base-Backbone interact. energy: 0.243
local terms energy: -59.438243
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -77.252979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.252979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.252979 (E_RNA)
where:
Base-Base interactions energy: -29.397
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.608
local terms energy: -47.247317
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -3.950
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: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -85.294131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.294131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.294131 (E_RNA)
where:
Base-Base interactions energy: -36.713
where: short stacking energy: -17.306
Base-Backbone interact. energy: -0.125
local terms energy: -48.455821
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -73.848253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.848253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.848253 (E_RNA)
where:
Base-Base interactions energy: -30.510
where: short stacking energy: -21.920
Base-Backbone interact. energy: -0.354
local terms energy: -42.984304
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -10.059
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: 466
Temperature: 0.900000
Total energy: -203.100988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.100988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.100988 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -50.836
Base-Backbone interact. energy: -0.302
local terms energy: -70.583298
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -185.455997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.455997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.455997 (E_RNA)
where:
Base-Base interactions energy: -111.829
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.079
local terms energy: -73.548164
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -19.466
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: 466
Temperature: 1.000000
Total energy: -196.616630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.616630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.616630 (E_RNA)
where:
Base-Base interactions energy: -131.556
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.020
local terms energy: -65.040234
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -18.885
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: 466
Temperature: 1.050000
Total energy: -197.548606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.548606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.548606 (E_RNA)
where:
Base-Base interactions energy: -133.057
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.216
local terms energy: -64.276433
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -134.251853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.251853 (E_RNA)
where:
Base-Base interactions energy: -78.743
where: short stacking energy: -40.638
Base-Backbone interact. energy: -0.086
local terms energy: -55.422369
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -9.205
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: 6, replica: 2
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -93.588965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.588965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.588965 (E_RNA)
where:
Base-Base interactions energy: -39.694
where: short stacking energy: -39.694
Base-Backbone interact. energy: -0.077
local terms energy: -53.817576
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -4.975
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: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -84.492266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.492266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.492266 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -33.038
Base-Backbone interact. energy: -0.161
local terms energy: -49.538038
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -8.162
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -5.677
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: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -77.667479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.667479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.667479 (E_RNA)
where:
Base-Base interactions energy: -28.542
where: short stacking energy: -26.214
Base-Backbone interact. energy: 0.758
local terms energy: -49.884146
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -4.138
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: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -76.348150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.348150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.348150 (E_RNA)
where:
Base-Base interactions energy: -26.039
where: short stacking energy: -22.304
Base-Backbone interact. energy: -0.373
local terms energy: -49.936161
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -93.122304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.122304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.122304 (E_RNA)
where:
Base-Base interactions energy: -48.325
where: short stacking energy: -33.185
Base-Backbone interact. energy: -0.078
local terms energy: -44.718608
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -202.694507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.694507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.694507 (E_RNA)
where:
Base-Base interactions energy: -138.279
where: short stacking energy: -63.062
Base-Backbone interact. energy: 0.519
local terms energy: -64.934526
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -9.682
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: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -202.793130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.793130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.793130 (E_RNA)
where:
Base-Base interactions energy: -126.755
where: short stacking energy: -57.266
Base-Backbone interact. energy: -0.067
local terms energy: -75.971956
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.920
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: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -176.004555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.004555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.004555 (E_RNA)
where:
Base-Base interactions energy: -103.973
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.001
local terms energy: -72.030562
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -195.422458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.422458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.422458 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.467
local terms energy: -60.639560
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -120.128536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.128536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.128536 (E_RNA)
where:
Base-Base interactions energy: -65.796
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.207
local terms energy: -54.126074
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -8.840
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -85.586680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.586680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.586680 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -34.157
Base-Backbone interact. energy: -0.946
local terms energy: -47.723598
where:
bonds (distance) C4'-P energy: -7.562
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -82.884755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.884755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.884755 (E_RNA)
where:
Base-Base interactions energy: -34.094
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.158
local terms energy: -48.633097
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -107.074499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.074499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.074499 (E_RNA)
where:
Base-Base interactions energy: -59.487
where: short stacking energy: -33.125
Base-Backbone interact. energy: -0.151
local terms energy: -47.437147
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -72.610672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.610672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.610672 (E_RNA)
where:
Base-Base interactions energy: -28.152
where: short stacking energy: -21.556
Base-Backbone interact. energy: -0.129
local terms energy: -44.329271
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: 2.384
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: 467
Temperature: 1.350000
Total energy: -75.517137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.517137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.517137 (E_RNA)
where:
Base-Base interactions energy: -23.783
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.072
local terms energy: -51.662782
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -7.900
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -205.420185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.420185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.420185 (E_RNA)
where:
Base-Base interactions energy: -132.928
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.315
local terms energy: -72.176861
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -197.082623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.082623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.082623 (E_RNA)
where:
Base-Base interactions energy: -124.836
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.044
local terms energy: -72.202300
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -18.172
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: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -198.949701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.949701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.949701 (E_RNA)
where:
Base-Base interactions energy: -131.911
where: short stacking energy: -59.376
Base-Backbone interact. energy: -0.488
local terms energy: -66.550495
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -14.472
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: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -173.759779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.759779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.759779 (E_RNA)
where:
Base-Base interactions energy: -104.178
where: short stacking energy: -46.006
Base-Backbone interact. energy: -0.042
local terms energy: -69.539437
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -122.063874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.063874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.063874 (E_RNA)
where:
Base-Base interactions energy: -68.993
where: short stacking energy: -37.965
Base-Backbone interact. energy: -0.136
local terms energy: -52.934453
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -5.739
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -9.562
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: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -81.256528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.256528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.256528 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -25.762
Base-Backbone interact. energy: -0.290
local terms energy: -52.483736
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -10.004
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: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -124.715769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.715769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.715769 (E_RNA)
where:
Base-Base interactions energy: -73.371
where: short stacking energy: -43.014
Base-Backbone interact. energy: -0.106
local terms energy: -51.238369
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -73.712574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.712574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.712574 (E_RNA)
where:
Base-Base interactions energy: -30.018
where: short stacking energy: -20.811
Base-Backbone interact. energy: -0.098
local terms energy: -43.596872
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -3.013
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: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -81.829848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.829848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.829848 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -16.341
Base-Backbone interact. energy: 0.134
local terms energy: -51.922411
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -77.426239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.426239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.426239 (E_RNA)
where:
Base-Base interactions energy: -28.649
where: short stacking energy: -27.664
Base-Backbone interact. energy: -0.106
local terms energy: -48.670765
where:
bonds (distance) C4'-P energy: -5.579
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -4.403
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: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -206.335732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.335732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.335732 (E_RNA)
where:
Base-Base interactions energy: -129.008
where: short stacking energy: -53.047
Base-Backbone interact. energy: -0.132
local terms energy: -77.195807
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -198.170255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.170255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.170255 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -53.332
Base-Backbone interact. energy: 0.007
local terms energy: -72.818255
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -182.751908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.751908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.751908 (E_RNA)
where:
Base-Base interactions energy: -120.685
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.440
local terms energy: -61.627162
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -12.714
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: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -159.654283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.654283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.654283 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -51.390
Base-Backbone interact. energy: 0.247
local terms energy: -60.847689
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -16.371
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: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -124.906552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.906552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.906552 (E_RNA)
where:
Base-Base interactions energy: -69.005
where: short stacking energy: -42.423
Base-Backbone interact. energy: -0.670
local terms energy: -55.231327
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -80.526096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526096 (E_RNA)
where:
Base-Base interactions energy: -29.730
where: short stacking energy: -28.640
Base-Backbone interact. energy: 0.511
local terms energy: -51.306685
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -91.097010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097010 (E_RNA)
where:
Base-Base interactions energy: -36.350
where: short stacking energy: -31.166
Base-Backbone interact. energy: 0.611
local terms energy: -55.357758
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -1.789
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: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -76.619778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.619778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.619778 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -23.537
Base-Backbone interact. energy: 1.883
local terms energy: -42.171355
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -1.038
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: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -70.826644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.826644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.826644 (E_RNA)
where:
Base-Base interactions energy: -24.206
where: short stacking energy: -15.216
Base-Backbone interact. energy: -0.798
local terms energy: -45.822956
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -6.753
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: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -79.443889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.443889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.443889 (E_RNA)
where:
Base-Base interactions energy: -34.947
where: short stacking energy: -25.636
Base-Backbone interact. energy: -0.266
local terms energy: -44.231137
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -1.550
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -201.790829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.790829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.790829 (E_RNA)
where:
Base-Base interactions energy: -132.043
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.079
local terms energy: -69.668319
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -199.996430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.996430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.996430 (E_RNA)
where:
Base-Base interactions energy: -127.271
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.103
local terms energy: -72.622073
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -15.426
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: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -189.303263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.303263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.303263 (E_RNA)
where:
Base-Base interactions energy: -124.469
where: short stacking energy: -50.116
Base-Backbone interact. energy: -0.328
local terms energy: -64.506859
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -167.271136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.271136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.271136 (E_RNA)
where:
Base-Base interactions energy: -101.985
where: short stacking energy: -45.078
Base-Backbone interact. energy: -0.005
local terms energy: -65.280305
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -96.141720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.141720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.141720 (E_RNA)
where:
Base-Base interactions energy: -53.410
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.159
local terms energy: -42.573128
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -3.490
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -5.686
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: 470
Temperature: 1.150000
Total energy: -93.566324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.566324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.566324 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -30.287
Base-Backbone interact. energy: -0.117
local terms energy: -54.784847
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -12.383
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: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -86.884184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.884184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.884184 (E_RNA)
where:
Base-Base interactions energy: -40.368
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.209
local terms energy: -46.307323
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -2.140
tors. eta vs tors. theta energy: -5.144
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: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -84.234700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234700 (E_RNA)
where:
Base-Base interactions energy: -30.089
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.018
local terms energy: -54.127424
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -77.724268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.724268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.724268 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.061
local terms energy: -45.265310
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -84.421280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.421280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.421280 (E_RNA)
where:
Base-Base interactions energy: -41.266
where: short stacking energy: -25.517
Base-Backbone interact. energy: -0.161
local terms energy: -42.993951
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -8.079
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: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -208.906385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.906385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.906385 (E_RNA)
where:
Base-Base interactions energy: -137.517
where: short stacking energy: -55.543
Base-Backbone interact. energy: -0.111
local terms energy: -71.278714
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -203.877579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877579 (E_RNA)
where:
Base-Base interactions energy: -136.775
where: short stacking energy: -55.652
Base-Backbone interact. energy: -0.362
local terms energy: -66.741236
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -196.062823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.062823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.062823 (E_RNA)
where:
Base-Base interactions energy: -135.593
where: short stacking energy: -57.166
Base-Backbone interact. energy: -0.078
local terms energy: -60.392537
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -1.747
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -167.158189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.158189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.158189 (E_RNA)
where:
Base-Base interactions energy: -103.284
where: short stacking energy: -49.011
Base-Backbone interact. energy: -0.217
local terms energy: -63.657248
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -109.375474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.375474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.375474 (E_RNA)
where:
Base-Base interactions energy: -58.793
where: short stacking energy: -27.308
Base-Backbone interact. energy: 0.680
local terms energy: -51.262481
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -6.816
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: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -98.243297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.243297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.243297 (E_RNA)
where:
Base-Base interactions energy: -42.354
where: short stacking energy: -39.014
Base-Backbone interact. energy: -0.009
local terms energy: -55.880298
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -78.096314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.096314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.096314 (E_RNA)
where:
Base-Base interactions energy: -25.272
where: short stacking energy: -14.698
Base-Backbone interact. energy: -0.239
local terms energy: -52.585124
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -83.161199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161199 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.109
local terms energy: -52.578437
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -74.228777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.228777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.228777 (E_RNA)
where:
Base-Base interactions energy: -28.092
where: short stacking energy: -28.092
Base-Backbone interact. energy: -0.109
local terms energy: -46.027676
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -0.922
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -73.577315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.577315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.577315 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -32.933
Base-Backbone interact. energy: -0.042
local terms energy: -40.601847
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -7.872
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -10.178
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: 472
Temperature: 0.900000
Total energy: -210.590828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.590828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.590828 (E_RNA)
where:
Base-Base interactions energy: -137.060
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.000
local terms energy: -73.530487
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -22.276
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -201.782081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.782081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.782081 (E_RNA)
where:
Base-Base interactions energy: -138.955
where: short stacking energy: -53.825
Base-Backbone interact. energy: -0.098
local terms energy: -62.729342
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -193.923841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.923841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.923841 (E_RNA)
where:
Base-Base interactions energy: -127.868
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.001
local terms energy: -66.055591
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -182.543509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.543509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.543509 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -50.764
Base-Backbone interact. energy: -1.314
local terms energy: -57.790555
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -0.118
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -95.369890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.369890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.369890 (E_RNA)
where:
Base-Base interactions energy: -41.474
where: short stacking energy: -28.002
Base-Backbone interact. energy: -0.011
local terms energy: -53.884212
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.397
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -93.267233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267233 (E_RNA)
where:
Base-Base interactions energy: -52.012
where: short stacking energy: -18.244
Base-Backbone interact. energy: -0.591
local terms energy: -40.664253
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -3.909
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: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -93.799060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.799060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.799060 (E_RNA)
where:
Base-Base interactions energy: -37.251
where: short stacking energy: -37.251
Base-Backbone interact. energy: -0.015
local terms energy: -56.533702
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -11.119
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: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -81.598042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598042 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -27.784
Base-Backbone interact. energy: 0.998
local terms energy: -50.094828
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -5.364
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: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -70.724128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.724128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.724128 (E_RNA)
where:
Base-Base interactions energy: -18.262
where: short stacking energy: -17.266
Base-Backbone interact. energy: -0.176
local terms energy: -52.285964
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -76.578007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.578007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.578007 (E_RNA)
where:
Base-Base interactions energy: -21.357
where: short stacking energy: -20.155
Base-Backbone interact. energy: -0.059
local terms energy: -55.162504
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -208.077226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.077226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.077226 (E_RNA)
where:
Base-Base interactions energy: -135.199
where: short stacking energy: -55.731
Base-Backbone interact. energy: -0.001
local terms energy: -72.877258
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -192.734720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.734720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.734720 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.460
local terms energy: -67.148933
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -201.442607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.442607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.442607 (E_RNA)
where:
Base-Base interactions energy: -126.027
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.012
local terms energy: -75.403962
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -170.690666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.690666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.690666 (E_RNA)
where:
Base-Base interactions energy: -105.018
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.470
local terms energy: -65.202934
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -14.723
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: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -101.504231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.504231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.504231 (E_RNA)
where:
Base-Base interactions energy: -49.936
where: short stacking energy: -39.447
Base-Backbone interact. energy: -0.006
local terms energy: -51.563004
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -6.460
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: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -97.901286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.901286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.901286 (E_RNA)
where:
Base-Base interactions energy: -54.147
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.521
local terms energy: -43.232607
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -3.610
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: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -88.714028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.714028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.714028 (E_RNA)
where:
Base-Base interactions energy: -39.349
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.125
local terms energy: -49.240225
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -85.595359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.595359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.595359 (E_RNA)
where:
Base-Base interactions energy: -38.168
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.063
local terms energy: -47.364122
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -83.657448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657448 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -23.646
Base-Backbone interact. energy: 1.265
local terms energy: -47.621618
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -74.514990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.514990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.514990 (E_RNA)
where:
Base-Base interactions energy: -24.583
where: short stacking energy: -24.583
Base-Backbone interact. energy: -0.047
local terms energy: -49.885405
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.819
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: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -206.972647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.972647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.972647 (E_RNA)
where:
Base-Base interactions energy: -128.912
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.064
local terms energy: -77.997112
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -21.703
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: 474
Temperature: 0.950000
Total energy: -209.637287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.637287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.637287 (E_RNA)
where:
Base-Base interactions energy: -134.356
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.009
local terms energy: -75.272331
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -18.395
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: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -205.608046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608046 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -47.435
Base-Backbone interact. energy: -0.047
local terms energy: -71.918488
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -201.073947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.073947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.073947 (E_RNA)
where:
Base-Base interactions energy: -130.298
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.713
local terms energy: -70.062610
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -99.075306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075306 (E_RNA)
where:
Base-Base interactions energy: -38.276
where: short stacking energy: -31.856
Base-Backbone interact. energy: 0.319
local terms energy: -61.118152
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -87.646418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.646418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.646418 (E_RNA)
where:
Base-Base interactions energy: -36.435
where: short stacking energy: -30.362
Base-Backbone interact. energy: -0.034
local terms energy: -51.178023
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -2.937
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: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -88.761993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.761993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.761993 (E_RNA)
where:
Base-Base interactions energy: -40.849
where: short stacking energy: -22.296
Base-Backbone interact. energy: 0.408
local terms energy: -48.320172
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -4.449
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: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -80.259483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.259483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.259483 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -19.107
Base-Backbone interact. energy: -0.431
local terms energy: -43.752165
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -8.149
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -74.146675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.146675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.146675 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -28.118
Base-Backbone interact. energy: -0.118
local terms energy: -43.305018
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -2.253
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: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -75.842928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.842928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.842928 (E_RNA)
where:
Base-Base interactions energy: -29.846
where: short stacking energy: -25.013
Base-Backbone interact. energy: -0.240
local terms energy: -45.757332
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -0.236
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: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -212.210810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.210810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.210810 (E_RNA)
where:
Base-Base interactions energy: -138.466
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.002
local terms energy: -73.743004
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -211.487001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.487001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.487001 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.002
local terms energy: -72.597041
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -196.409522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.409522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.409522 (E_RNA)
where:
Base-Base interactions energy: -132.327
where: short stacking energy: -46.770
Base-Backbone interact. energy: -0.420
local terms energy: -63.662743
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -201.135779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.135779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.135779 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -59.016
Base-Backbone interact. energy: -0.099
local terms energy: -73.647891
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -19.129
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: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -97.964263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.964263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.964263 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -42.433
Base-Backbone interact. energy: -0.024
local terms energy: -55.506480
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -95.723649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.723649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.723649 (E_RNA)
where:
Base-Base interactions energy: -43.900
where: short stacking energy: -29.115
Base-Backbone interact. energy: -0.172
local terms energy: -51.651631
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -3.037
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: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -91.480003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.480003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.480003 (E_RNA)
where:
Base-Base interactions energy: -31.497
where: short stacking energy: -27.449
Base-Backbone interact. energy: -0.075
local terms energy: -59.907127
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -8.578
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: 475
Temperature: 1.250000
Total energy: -88.680788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.680788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.680788 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -25.394
Base-Backbone interact. energy: -0.036
local terms energy: -48.578708
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -75.492551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.492551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.492551 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -24.164
Base-Backbone interact. energy: 1.226
local terms energy: -49.796097
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -70.724007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.724007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.724007 (E_RNA)
where:
Base-Base interactions energy: -26.399
where: short stacking energy: -25.546
Base-Backbone interact. energy: 0.022
local terms energy: -44.346698
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: 1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -195.934262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.934262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.934262 (E_RNA)
where:
Base-Base interactions energy: -128.325
where: short stacking energy: -54.502
Base-Backbone interact. energy: -0.845
local terms energy: -66.764350
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -10.656
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: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -207.017588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017588 (E_RNA)
where:
Base-Base interactions energy: -138.668
where: short stacking energy: -63.188
Base-Backbone interact. energy: -0.001
local terms energy: -68.347946
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -16.314
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: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -190.147716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.147716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.147716 (E_RNA)
where:
Base-Base interactions energy: -121.457
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.201
local terms energy: -68.489272
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -17.998
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: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -168.473027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.473027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.473027 (E_RNA)
where:
Base-Base interactions energy: -102.700
where: short stacking energy: -46.558
Base-Backbone interact. energy: -0.218
local terms energy: -65.555081
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -13.433
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: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -98.312344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.312344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.312344 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -40.650
Base-Backbone interact. energy: -0.034
local terms energy: -57.825493
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -10.189
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: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -96.097941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.097941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.097941 (E_RNA)
where:
Base-Base interactions energy: -40.448
where: short stacking energy: -37.207
Base-Backbone interact. energy: 0.335
local terms energy: -55.985076
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -100.041392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.041392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.041392 (E_RNA)
where:
Base-Base interactions energy: -51.684
where: short stacking energy: -39.189
Base-Backbone interact. energy: 0.515
local terms energy: -48.872874
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -79.576811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.576811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.576811 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -22.822
Base-Backbone interact. energy: -0.012
local terms energy: -54.589433
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -6.833
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: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -94.428778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.428778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.428778 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -18.933
Base-Backbone interact. energy: -0.220
local terms energy: -59.197660
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -72.504002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.504002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.504002 (E_RNA)
where:
Base-Base interactions energy: -25.283
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.058
local terms energy: -47.163609
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -199.937585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.937585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.937585 (E_RNA)
where:
Base-Base interactions energy: -135.470
where: short stacking energy: -63.552
Base-Backbone interact. energy: -0.074
local terms energy: -64.393235
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -209.349863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.349863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.349863 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.007
local terms energy: -69.893185
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -195.744906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.744906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.744906 (E_RNA)
where:
Base-Base interactions energy: -128.749
where: short stacking energy: -51.838
Base-Backbone interact. energy: -0.161
local terms energy: -66.834589
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -165.948024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.948024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.948024 (E_RNA)
where:
Base-Base interactions energy: -99.271
where: short stacking energy: -50.787
Base-Backbone interact. energy: 0.406
local terms energy: -67.083512
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -17.659
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: 477
Temperature: 1.100000
Total energy: -127.969910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.969910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.969910 (E_RNA)
where:
Base-Base interactions energy: -76.488
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.176
local terms energy: -51.306440
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -7.757
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: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -87.438802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.438802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.438802 (E_RNA)
where:
Base-Base interactions energy: -30.461
where: short stacking energy: -28.895
Base-Backbone interact. energy: 0.828
local terms energy: -57.806071
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -6.566
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: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -101.414781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.414781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.414781 (E_RNA)
where:
Base-Base interactions energy: -55.602
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.103
local terms energy: -45.709394
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -87.014153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.014153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.014153 (E_RNA)
where:
Base-Base interactions energy: -32.721
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.519
local terms energy: -53.773688
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -6.714
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: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -78.063958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.063958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.063958 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -27.942
Base-Backbone interact. energy: -1.150
local terms energy: -47.845207
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -83.742498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.742498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.742498 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.141
local terms energy: -49.649158
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -4.739
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: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -196.874583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.874583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.874583 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -61.237
Base-Backbone interact. energy: -0.382
local terms energy: -64.155943
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -189.112652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.112652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.112652 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.000
local terms energy: -63.172321
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.860
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: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -206.739775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.739775 (E_RNA)
where:
Base-Base interactions energy: -137.606
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.196
local terms energy: -68.937536
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -150.682970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.682970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.682970 (E_RNA)
where:
Base-Base interactions energy: -94.477
where: short stacking energy: -49.872
Base-Backbone interact. energy: -0.380
local terms energy: -55.826204
where:
bonds (distance) C4'-P energy: -7.392
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -5.496
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: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -99.213814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.213814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.213814 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -30.938
Base-Backbone interact. energy: -0.000
local terms energy: -68.275842
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -11.304
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: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -143.465392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.465392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.465392 (E_RNA)
where:
Base-Base interactions energy: -85.785
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.009
local terms energy: -57.671787
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -92.319917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.319917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.319917 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -23.680
Base-Backbone interact. energy: -0.005
local terms energy: -54.934283
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.201
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: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -80.164082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.164082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.164082 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.073
local terms energy: -48.215954
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -4.697
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: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -77.691100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.691100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.691100 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -20.267
Base-Backbone interact. energy: -0.353
local terms energy: -46.048298
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.109
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: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -79.783337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.783337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.783337 (E_RNA)
where:
Base-Base interactions energy: -27.874
where: short stacking energy: -24.908
Base-Backbone interact. energy: -0.082
local terms energy: -51.827229
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -212.533576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.533576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.533576 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.090
local terms energy: -70.559811
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -18.487
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: 479
Temperature: 0.950000
Total energy: -199.165199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.165199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.165199 (E_RNA)
where:
Base-Base interactions energy: -129.784
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.637
local terms energy: -68.744501
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -203.010370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.010370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.010370 (E_RNA)
where:
Base-Base interactions energy: -136.775
where: short stacking energy: -57.835
Base-Backbone interact. energy: 0.221
local terms energy: -66.456051
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -147.346051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.346051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.346051 (E_RNA)
where:
Base-Base interactions energy: -90.533
where: short stacking energy: -47.379
Base-Backbone interact. energy: -0.009
local terms energy: -56.804019
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -97.926883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.926883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.926883 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.126
local terms energy: -63.200038
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -12.436
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: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -146.047265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.047265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.047265 (E_RNA)
where:
Base-Base interactions energy: -85.012
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.380
local terms energy: -60.655175
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -83.659760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659760 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.023
local terms energy: -50.045588
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -73.796815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.796815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.796815 (E_RNA)
where:
Base-Base interactions energy: -25.737
where: short stacking energy: -21.663
Base-Backbone interact. energy: 0.055
local terms energy: -48.114824
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -74.300601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.300601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.300601 (E_RNA)
where:
Base-Base interactions energy: -22.188
where: short stacking energy: -22.188
Base-Backbone interact. energy: -0.188
local terms energy: -51.924825
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -77.007029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.007029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.007029 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -28.497
Base-Backbone interact. energy: -0.031
local terms energy: -48.105524
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -207.694798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.694798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.694798 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.001
local terms energy: -73.310143
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -205.024929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.024929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.024929 (E_RNA)
where:
Base-Base interactions energy: -133.318
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.001
local terms energy: -71.706083
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -187.205140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.205140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.205140 (E_RNA)
where:
Base-Base interactions energy: -121.479
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.396
local terms energy: -65.329835
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -151.600871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.600871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.600871 (E_RNA)
where:
Base-Base interactions energy: -88.176
where: short stacking energy: -43.982
Base-Backbone interact. energy: -0.070
local terms energy: -63.355112
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -154.707176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.707176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.707176 (E_RNA)
where:
Base-Base interactions energy: -108.798
where: short stacking energy: -38.225
Base-Backbone interact. energy: -0.994
local terms energy: -44.914728
where:
bonds (distance) C4'-P energy: -6.375
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -88.874764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.874764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.874764 (E_RNA)
where:
Base-Base interactions energy: -31.870
where: short stacking energy: -24.790
Base-Backbone interact. energy: -0.470
local terms energy: -56.535551
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -7.314
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: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -92.046090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.046090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.046090 (E_RNA)
where:
Base-Base interactions energy: -44.181
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.300
local terms energy: -47.564678
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -8.659
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: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -78.852080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852080 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -33.258
Base-Backbone interact. energy: -0.048
local terms energy: -42.066870
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -6.025
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: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -71.883426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.883426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.883426 (E_RNA)
where:
Base-Base interactions energy: -22.194
where: short stacking energy: -22.194
Base-Backbone interact. energy: -0.020
local terms energy: -49.669713
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -4.578
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.829979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.829979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.829979 (E_RNA)
where:
Base-Base interactions energy: -27.996
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.132
local terms energy: -51.702043
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -211.432079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.432079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.432079 (E_RNA)
where:
Base-Base interactions energy: -137.642
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.111
local terms energy: -73.679718
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -21.297
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: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -202.645674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645674 (E_RNA)
where:
Base-Base interactions energy: -134.360
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.103
local terms energy: -68.182430
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -17.762
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: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -202.602203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.602203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.602203 (E_RNA)
where:
Base-Base interactions energy: -130.746
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.003
local terms energy: -71.853462
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -19.694
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: 481
Temperature: 1.050000
Total energy: -158.034782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.034782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.034782 (E_RNA)
where:
Base-Base interactions energy: -93.540
where: short stacking energy: -46.259
Base-Backbone interact. energy: -0.053
local terms energy: -64.442460
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -156.627318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.627318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.627318 (E_RNA)
where:
Base-Base interactions energy: -90.014
where: short stacking energy: -47.347
Base-Backbone interact. energy: -0.207
local terms energy: -66.405949
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -90.180816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180816 (E_RNA)
where:
Base-Base interactions energy: -44.351
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.218
local terms energy: -45.611071
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -5.912
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: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -76.852360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.852360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.852360 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -27.108
Base-Backbone interact. energy: -0.250
local terms energy: -44.887855
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -11.418
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: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -85.075828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.075828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.075828 (E_RNA)
where:
Base-Base interactions energy: -36.751
where: short stacking energy: -32.207
Base-Backbone interact. energy: -0.116
local terms energy: -48.208266
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -7.039
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: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -80.172437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172437 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.189
local terms energy: -44.773823
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -0.816
tors. eta vs tors. theta energy: -4.202
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: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -71.676988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.676988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.676988 (E_RNA)
where:
Base-Base interactions energy: -21.312
where: short stacking energy: -20.688
Base-Backbone interact. energy: -0.454
local terms energy: -49.910943
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: 1.244
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: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -210.296107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.296107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.296107 (E_RNA)
where:
Base-Base interactions energy: -140.116
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.129
local terms energy: -70.050483
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -208.493296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.493296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.493296 (E_RNA)
where:
Base-Base interactions energy: -140.088
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.001
local terms energy: -68.404265
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -20.202
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: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -175.701702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.701702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701702 (E_RNA)
where:
Base-Base interactions energy: -111.724
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.004
local terms energy: -63.974458
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -185.595682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.595682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.595682 (E_RNA)
where:
Base-Base interactions energy: -129.004
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.575
local terms energy: -56.016089
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -3.932
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -159.288903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.288903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.288903 (E_RNA)
where:
Base-Base interactions energy: -104.017
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.087
local terms energy: -55.185230
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -105.437637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.437637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.437637 (E_RNA)
where:
Base-Base interactions energy: -54.946
where: short stacking energy: -35.589
Base-Backbone interact. energy: 0.267
local terms energy: -50.758487
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.928
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: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -95.310451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.310451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.310451 (E_RNA)
where:
Base-Base interactions energy: -38.260
where: short stacking energy: -36.531
Base-Backbone interact. energy: 1.190
local terms energy: -58.240085
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -75.985490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.985490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.985490 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -21.471
Base-Backbone interact. energy: -0.696
local terms energy: -47.834537
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -0.939
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: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -72.904408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.904408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.904408 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -26.456
Base-Backbone interact. energy: -0.123
local terms energy: -46.325747
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -0.943
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: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -81.076384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.076384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.076384 (E_RNA)
where:
Base-Base interactions energy: -28.596
where: short stacking energy: -24.161
Base-Backbone interact. energy: -0.132
local terms energy: -52.348451
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -0.517
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -201.846821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.846821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846821 (E_RNA)
where:
Base-Base interactions energy: -132.283
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.001
local terms energy: -69.563490
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.662
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: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -177.338720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.338720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.338720 (E_RNA)
where:
Base-Base interactions energy: -109.033
where: short stacking energy: -49.877
Base-Backbone interact. energy: 0.693
local terms energy: -68.998990
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -195.603120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.603120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.603120 (E_RNA)
where:
Base-Base interactions energy: -125.135
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.051
local terms energy: -70.417605
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -6.531
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: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -186.192036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192036 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -53.799
Base-Backbone interact. energy: 0.064
local terms energy: -68.330969
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -15.613
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: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -158.761914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.761914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.761914 (E_RNA)
where:
Base-Base interactions energy: -98.801
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.586
local terms energy: -59.374588
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -4.288
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -95.778856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.778856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.778856 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -23.575
Base-Backbone interact. energy: -0.331
local terms energy: -49.739694
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -102.947503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947503 (E_RNA)
where:
Base-Base interactions energy: -54.975
where: short stacking energy: -23.115
Base-Backbone interact. energy: -0.323
local terms energy: -47.650028
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.832
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: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -80.448773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448773 (E_RNA)
where:
Base-Base interactions energy: -30.839
where: short stacking energy: -31.237
Base-Backbone interact. energy: 0.213
local terms energy: -49.822366
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -91.546675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.546675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.546675 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -32.714
Base-Backbone interact. energy: 0.441
local terms energy: -59.273818
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.013
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: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -72.977053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.977053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.977053 (E_RNA)
where:
Base-Base interactions energy: -24.864
where: short stacking energy: -14.771
Base-Backbone interact. energy: 0.814
local terms energy: -48.926849
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -186.810029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.810029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.810029 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -48.668
Base-Backbone interact. energy: -0.524
local terms energy: -64.794427
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -11.231
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: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -202.490124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490124 (E_RNA)
where:
Base-Base interactions energy: -135.436
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.011
local terms energy: -67.043501
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -17.949
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: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -203.526229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.526229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.526229 (E_RNA)
where:
Base-Base interactions energy: -133.048
where: short stacking energy: -61.946
Base-Backbone interact. energy: 0.334
local terms energy: -70.812474
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -196.675997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.675997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.675997 (E_RNA)
where:
Base-Base interactions energy: -128.326
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.000
local terms energy: -68.349917
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.703
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: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -162.980265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.980265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.980265 (E_RNA)
where:
Base-Base interactions energy: -105.036
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.409
local terms energy: -57.534752
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -123.535298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.535298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.535298 (E_RNA)
where:
Base-Base interactions energy: -69.195
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.396
local terms energy: -53.944465
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -89.532836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.532836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.532836 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -21.548
Base-Backbone interact. energy: -0.186
local terms energy: -53.932250
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 1.073
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: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -98.308188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.308188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.308188 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -29.639
Base-Backbone interact. energy: 0.505
local terms energy: -53.881014
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -76.447072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.447072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.447072 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.138
local terms energy: -46.383615
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -81.275398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.275398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.275398 (E_RNA)
where:
Base-Base interactions energy: -42.949
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.159
local terms energy: -38.167500
where:
bonds (distance) C4'-P energy: -4.627
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -194.045578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.045578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.045578 (E_RNA)
where:
Base-Base interactions energy: -123.084
where: short stacking energy: -54.969
Base-Backbone interact. energy: -0.648
local terms energy: -70.314237
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -13.966
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: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -197.651888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.651888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.651888 (E_RNA)
where:
Base-Base interactions energy: -123.595
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.025
local terms energy: -74.031278
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -200.866496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.866496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.866496 (E_RNA)
where:
Base-Base interactions energy: -128.666
where: short stacking energy: -55.856
Base-Backbone interact. energy: 0.405
local terms energy: -72.605138
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.898
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -174.855924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.855924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.855924 (E_RNA)
where:
Base-Base interactions energy: -103.011
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.180
local terms energy: -71.664873
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.528
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: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -186.155150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.155150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.155150 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.001
local terms energy: -68.023493
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -5.221
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: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -158.165587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.165587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.165587 (E_RNA)
where:
Base-Base interactions energy: -113.233
where: short stacking energy: -50.013
Base-Backbone interact. energy: -0.091
local terms energy: -44.840888
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -89.849682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849682 (E_RNA)
where:
Base-Base interactions energy: -47.771
where: short stacking energy: -38.982
Base-Backbone interact. energy: -0.392
local terms energy: -41.686880
where:
bonds (distance) C4'-P energy: -0.689
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -86.673071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.673071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.673071 (E_RNA)
where:
Base-Base interactions energy: -37.299
where: short stacking energy: -24.758
Base-Backbone interact. energy: 0.334
local terms energy: -49.708407
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -8.713
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: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -88.109643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109643 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -39.190
Base-Backbone interact. energy: -0.106
local terms energy: -48.609395
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -9.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -75.195979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.195979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.195979 (E_RNA)
where:
Base-Base interactions energy: -24.656
where: short stacking energy: -24.656
Base-Backbone interact. energy: -0.459
local terms energy: -50.081091
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -4.875
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: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -206.106356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.106356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.106356 (E_RNA)
where:
Base-Base interactions energy: -135.035
where: short stacking energy: -57.824
Base-Backbone interact. energy: -0.409
local terms energy: -70.662421
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -198.922584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922584 (E_RNA)
where:
Base-Base interactions energy: -133.774
where: short stacking energy: -56.785
Base-Backbone interact. energy: -0.107
local terms energy: -65.041847
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -197.903944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.903944 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.002
local terms energy: -65.266155
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -7.191
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -157.509135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.509135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.509135 (E_RNA)
where:
Base-Base interactions energy: -94.131
where: short stacking energy: -44.684
Base-Backbone interact. energy: -0.075
local terms energy: -63.303487
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.369
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: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -152.197966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.197966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.197966 (E_RNA)
where:
Base-Base interactions energy: -91.428
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.124
local terms energy: -60.646133
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -13.278
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: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -182.982899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.982899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.982899 (E_RNA)
where:
Base-Base interactions energy: -118.652
where: short stacking energy: -52.835
Base-Backbone interact. energy: -0.007
local terms energy: -64.324028
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -10.279
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: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -84.453643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.453643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.453643 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.012
local terms energy: -51.563154
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -81.649344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.649344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.649344 (E_RNA)
where:
Base-Base interactions energy: -34.818
where: short stacking energy: -20.585
Base-Backbone interact. energy: -0.157
local terms energy: -46.673891
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -85.805643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.805643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.805643 (E_RNA)
where:
Base-Base interactions energy: -24.818
where: short stacking energy: -24.818
Base-Backbone interact. energy: -0.031
local terms energy: -60.956814
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -10.189
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: 486
Temperature: 1.350000
Total energy: -84.508152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.508152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.508152 (E_RNA)
where:
Base-Base interactions energy: -30.209
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.061
local terms energy: -54.237726
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -6.482
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: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -210.469455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.469455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.469455 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.005
local terms energy: -74.645870
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -18.876
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: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -204.827633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.827633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.827633 (E_RNA)
where:
Base-Base interactions energy: -137.032
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.003
local terms energy: -67.792614
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -186.559783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559783 (E_RNA)
where:
Base-Base interactions energy: -118.077
where: short stacking energy: -47.588
Base-Backbone interact. energy: -0.271
local terms energy: -68.211987
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -8.980
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: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -151.200768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.200768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.200768 (E_RNA)
where:
Base-Base interactions energy: -97.388
where: short stacking energy: -39.299
Base-Backbone interact. energy: -0.039
local terms energy: -53.773799
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -2.448
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: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -154.914313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.914313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.914313 (E_RNA)
where:
Base-Base interactions energy: -95.208
where: short stacking energy: -39.530
Base-Backbone interact. energy: -0.087
local terms energy: -59.620121
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -7.724
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: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -173.091569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.091569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.091569 (E_RNA)
where:
Base-Base interactions energy: -110.212
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.002
local terms energy: -62.877655
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -14.797
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: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -82.621331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621331 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -28.936
Base-Backbone interact. energy: -0.127
local terms energy: -53.558422
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -84.609770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.609770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.609770 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -32.379
Base-Backbone interact. energy: 0.334
local terms energy: -49.368487
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -77.254651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.254651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.254651 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.466
local terms energy: -44.334551
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -5.448
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -7.182
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: 487
Temperature: 1.350000
Total energy: -76.651424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.651424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.651424 (E_RNA)
where:
Base-Base interactions energy: -27.106
where: short stacking energy: -27.106
Base-Backbone interact. energy: -1.168
local terms energy: -48.378034
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -5.490
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: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -207.578046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.578046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.578046 (E_RNA)
where:
Base-Base interactions energy: -134.816
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.034
local terms energy: -72.727686
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -199.382405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.382405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.382405 (E_RNA)
where:
Base-Base interactions energy: -134.976
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.178
local terms energy: -64.228718
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -17.105
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -199.685799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.685799 (E_RNA)
where:
Base-Base interactions energy: -137.366
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.051
local terms energy: -62.268832
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -154.613855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.613855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.613855 (E_RNA)
where:
Base-Base interactions energy: -95.691
where: short stacking energy: -49.943
Base-Backbone interact. energy: -0.911
local terms energy: -58.011817
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -6.786
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -15.192
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -173.919886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.919886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.919886 (E_RNA)
where:
Base-Base interactions energy: -114.276
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.237
local terms energy: -59.407708
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -5.142
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: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -137.192104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.192104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.192104 (E_RNA)
where:
Base-Base interactions energy: -79.218
where: short stacking energy: -39.604
Base-Backbone interact. energy: 0.491
local terms energy: -58.465407
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -95.174308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.174308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.174308 (E_RNA)
where:
Base-Base interactions energy: -39.219
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.002
local terms energy: -55.954097
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -9.192
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: 488
Temperature: 1.250000
Total energy: -81.419612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.419612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.419612 (E_RNA)
where:
Base-Base interactions energy: -27.467
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.108
local terms energy: -53.843777
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -74.045805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.045805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.045805 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.119
local terms energy: -43.591988
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -72.680781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.680781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.680781 (E_RNA)
where:
Base-Base interactions energy: -29.187
where: short stacking energy: -22.118
Base-Backbone interact. energy: 0.843
local terms energy: -44.336696
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -7.060
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -211.525703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.525703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.525703 (E_RNA)
where:
Base-Base interactions energy: -134.964
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.343
local terms energy: -76.218841
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -206.236887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.236887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.236887 (E_RNA)
where:
Base-Base interactions energy: -136.436
where: short stacking energy: -58.114
Base-Backbone interact. energy: -0.001
local terms energy: -69.799689
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -192.144069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.144069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.144069 (E_RNA)
where:
Base-Base interactions energy: -127.435
where: short stacking energy: -54.748
Base-Backbone interact. energy: -0.005
local terms energy: -64.704146
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -16.913
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: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -170.211692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.211692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.211692 (E_RNA)
where:
Base-Base interactions energy: -108.273
where: short stacking energy: -44.241
Base-Backbone interact. energy: 0.676
local terms energy: -62.615512
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -12.276
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: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -165.943113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.943113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.943113 (E_RNA)
where:
Base-Base interactions energy: -102.574
where: short stacking energy: -45.208
Base-Backbone interact. energy: -0.451
local terms energy: -62.918123
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -117.226398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.226398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.226398 (E_RNA)
where:
Base-Base interactions energy: -60.494
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.817
local terms energy: -55.915589
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -81.441643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.441643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.441643 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.344
local terms energy: -50.280302
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -0.798
tors. eta vs tors. theta energy: -6.439
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: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -90.774009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774009 (E_RNA)
where:
Base-Base interactions energy: -51.789
where: short stacking energy: -35.811
Base-Backbone interact. energy: -0.346
local terms energy: -38.639061
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -79.950092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950092 (E_RNA)
where:
Base-Base interactions energy: -27.145
where: short stacking energy: -27.145
Base-Backbone interact. energy: -0.169
local terms energy: -52.637026
where:
bonds (distance) C4'-P energy: -7.236
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -84.204960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.204960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.204960 (E_RNA)
where:
Base-Base interactions energy: -38.539
where: short stacking energy: -18.922
Base-Backbone interact. energy: -0.254
local terms energy: -45.412447
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -191.935760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935760 (E_RNA)
where:
Base-Base interactions energy: -122.494
where: short stacking energy: -51.567
Base-Backbone interact. energy: -0.058
local terms energy: -69.383448
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -209.969559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.969559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.969559 (E_RNA)
where:
Base-Base interactions energy: -134.171
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.009
local terms energy: -75.789471
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -18.270
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: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -174.862749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.862749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.862749 (E_RNA)
where:
Base-Base interactions energy: -116.524
where: short stacking energy: -41.071
Base-Backbone interact. energy: -0.369
local terms energy: -57.970129
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -5.651
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: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -180.428048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.428048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.428048 (E_RNA)
where:
Base-Base interactions energy: -113.728
where: short stacking energy: -52.663
Base-Backbone interact. energy: -0.839
local terms energy: -65.861258
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -16.811
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: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -162.645585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.645585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.645585 (E_RNA)
where:
Base-Base interactions energy: -103.447
where: short stacking energy: -45.101
Base-Backbone interact. energy: -0.033
local terms energy: -59.165461
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -123.389012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.389012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.389012 (E_RNA)
where:
Base-Base interactions energy: -69.797
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.095
local terms energy: -53.496763
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -88.805908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.805908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.805908 (E_RNA)
where:
Base-Base interactions energy: -40.442
where: short stacking energy: -17.604
Base-Backbone interact. energy: -0.054
local terms energy: -48.309984
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: 2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -93.158040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.158040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.158040 (E_RNA)
where:
Base-Base interactions energy: -39.597
where: short stacking energy: -28.233
Base-Backbone interact. energy: 0.421
local terms energy: -53.981730
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -79.543325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.543325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.543325 (E_RNA)
where:
Base-Base interactions energy: -32.247
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.152
local terms energy: -47.144337
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -1.302
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: 490
Temperature: 1.350000
Total energy: -73.257697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.257697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.257697 (E_RNA)
where:
Base-Base interactions energy: -24.593
where: short stacking energy: -24.593
Base-Backbone interact. energy: 1.880
local terms energy: -50.544692
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -195.595275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.595275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.595275 (E_RNA)
where:
Base-Base interactions energy: -117.595
where: short stacking energy: -55.581
Base-Backbone interact. energy: 1.515
local terms energy: -79.516043
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -13.580
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: 2, replica: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -184.378217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.378217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.378217 (E_RNA)
where:
Base-Base interactions energy: -119.894
where: short stacking energy: -52.429
Base-Backbone interact. energy: -0.604
local terms energy: -63.879546
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -194.632470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.632470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.632470 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -54.290
Base-Backbone interact. energy: -0.100
local terms energy: -70.802946
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -181.464166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.464166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.464166 (E_RNA)
where:
Base-Base interactions energy: -113.102
where: short stacking energy: -52.602
Base-Backbone interact. energy: -1.417
local terms energy: -66.945061
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -186.996628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.996628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.996628 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -55.932
Base-Backbone interact. energy: -0.324
local terms energy: -65.162518
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -17.732
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: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -105.834724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.834724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.834724 (E_RNA)
where:
Base-Base interactions energy: -44.056
where: short stacking energy: -40.745
Base-Backbone interact. energy: -0.135
local terms energy: -61.643003
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -97.327728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.327728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.327728 (E_RNA)
where:
Base-Base interactions energy: -58.522
where: short stacking energy: -22.638
Base-Backbone interact. energy: -0.330
local terms energy: -38.475127
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: 2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -104.186743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.186743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.186743 (E_RNA)
where:
Base-Base interactions energy: -52.257
where: short stacking energy: -36.174
Base-Backbone interact. energy: -0.053
local terms energy: -51.877210
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -7.173
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: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -89.916506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.916506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.916506 (E_RNA)
where:
Base-Base interactions energy: -38.699
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.097
local terms energy: -51.120630
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -71.415226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.415226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.415226 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.187
local terms energy: -42.393018
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -0.908
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: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -181.892362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.892362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.892362 (E_RNA)
where:
Base-Base interactions energy: -117.317
where: short stacking energy: -41.530
Base-Backbone interact. energy: -0.737
local terms energy: -63.838437
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -11.253
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: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -190.988289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.988289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.988289 (E_RNA)
where:
Base-Base interactions energy: -117.761
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.353
local terms energy: -72.874818
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -18.361
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: 492
Temperature: 1.000000
Total energy: -200.273911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.273911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.273911 (E_RNA)
where:
Base-Base interactions energy: -131.292
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.876
local terms energy: -68.105426
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -181.195652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.195652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.195652 (E_RNA)
where:
Base-Base interactions energy: -122.443
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.246
local terms energy: -58.506246
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -197.047791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.047791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.047791 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.157
local terms energy: -72.978951
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -7.864
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: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -83.657173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657173 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.075
local terms energy: -51.461532
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -9.203
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: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -97.178620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.178620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.178620 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -31.038
Base-Backbone interact. energy: -0.312
local terms energy: -53.338818
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -91.828496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.828496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.828496 (E_RNA)
where:
Base-Base interactions energy: -36.591
where: short stacking energy: -22.554
Base-Backbone interact. energy: -0.920
local terms energy: -54.317310
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -0.360
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: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -75.479666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.479666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.479666 (E_RNA)
where:
Base-Base interactions energy: -24.886
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.008
local terms energy: -50.586030
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -1.873
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: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -69.574946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.574946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.574946 (E_RNA)
where:
Base-Base interactions energy: -26.997
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.046
local terms energy: -42.532540
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -186.627143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.627143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.627143 (E_RNA)
where:
Base-Base interactions energy: -117.908
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.133
local terms energy: -68.586514
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -15.040
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: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -208.558959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.558959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.558959 (E_RNA)
where:
Base-Base interactions energy: -137.003
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.007
local terms energy: -71.549813
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -188.916352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.916352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.916352 (E_RNA)
where:
Base-Base interactions energy: -118.279
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.294
local terms energy: -70.343181
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -178.785860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.785860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.785860 (E_RNA)
where:
Base-Base interactions energy: -117.444
where: short stacking energy: -45.855
Base-Backbone interact. energy: 0.560
local terms energy: -61.901799
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -12.997
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -186.353681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.353681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.353681 (E_RNA)
where:
Base-Base interactions energy: -117.259
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.002
local terms energy: -69.092512
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -106.204883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.204883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.204883 (E_RNA)
where:
Base-Base interactions energy: -58.560
where: short stacking energy: -29.307
Base-Backbone interact. energy: -0.185
local terms energy: -47.459513
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -87.711996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.711996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.711996 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -36.965
Base-Backbone interact. energy: -0.028
local terms energy: -50.718397
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -113.617453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.617453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.617453 (E_RNA)
where:
Base-Base interactions energy: -61.908
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.288
local terms energy: -51.421427
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -76.390705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.390705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.390705 (E_RNA)
where:
Base-Base interactions energy: -27.425
where: short stacking energy: -27.425
Base-Backbone interact. energy: 1.910
local terms energy: -50.876146
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -83.570134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.570134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.570134 (E_RNA)
where:
Base-Base interactions energy: -32.334
where: short stacking energy: -32.334
Base-Backbone interact. energy: 0.088
local terms energy: -51.324429
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -7.188
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -207.793265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.793265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.793265 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.001
local terms energy: -71.096791
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -173.744665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.744665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.744665 (E_RNA)
where:
Base-Base interactions energy: -112.254
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.144
local terms energy: -61.347202
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -170.832198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.832198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.832198 (E_RNA)
where:
Base-Base interactions energy: -108.060
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.109
local terms energy: -62.663290
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -175.504338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.504338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.504338 (E_RNA)
where:
Base-Base interactions energy: -108.105
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.269
local terms energy: -67.130741
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -18.012
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: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -180.076909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.076909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.076909 (E_RNA)
where:
Base-Base interactions energy: -124.162
where: short stacking energy: -51.589
Base-Backbone interact. energy: 1.823
local terms energy: -57.738237
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -12.962
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: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -86.922457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.922457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.922457 (E_RNA)
where:
Base-Base interactions energy: -34.191
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.202
local terms energy: -52.529098
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.920
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: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -83.971730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.971730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.971730 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -28.017
Base-Backbone interact. energy: 0.735
local terms energy: -45.215545
where:
bonds (distance) C4'-P energy: -5.829
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -3.176
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: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -90.970413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.970413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.970413 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.059
local terms energy: -55.566250
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -75.804366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.804366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.804366 (E_RNA)
where:
Base-Base interactions energy: -28.541
where: short stacking energy: -28.541
Base-Backbone interact. energy: -0.079
local terms energy: -47.184745
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -6.979
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -78.968377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.968377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.968377 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -23.223
Base-Backbone interact. energy: -0.096
local terms energy: -47.222864
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: 0.715
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: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -210.214206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.214206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.214206 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.240
local terms energy: -72.721090
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -207.740901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.740901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.740901 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.006
local terms energy: -66.748694
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -171.248773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.248773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.248773 (E_RNA)
where:
Base-Base interactions energy: -103.914
where: short stacking energy: -48.753
Base-Backbone interact. energy: -0.061
local terms energy: -67.273358
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -14.435
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: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -163.667589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.667589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.667589 (E_RNA)
where:
Base-Base interactions energy: -99.971
where: short stacking energy: -51.430
Base-Backbone interact. energy: -0.371
local terms energy: -63.326111
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -9.817
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: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -169.161655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.161655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.161655 (E_RNA)
where:
Base-Base interactions energy: -103.064
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.198
local terms energy: -65.899459
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -12.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -97.004309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.004309 (E_RNA)
where:
Base-Base interactions energy: -41.061
where: short stacking energy: -20.314
Base-Backbone interact. energy: -0.018
local terms energy: -55.924822
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -2.197
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: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -93.469920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.469920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.469920 (E_RNA)
where:
Base-Base interactions energy: -44.973
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.096
local terms energy: -48.400891
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -79.381719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.381719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.381719 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -28.075
Base-Backbone interact. energy: 0.172
local terms energy: -45.483781
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -77.236019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.236019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.236019 (E_RNA)
where:
Base-Base interactions energy: -30.456
where: short stacking energy: -29.925
Base-Backbone interact. energy: -0.458
local terms energy: -46.322493
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: 2.315
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -73.493237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.493237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.493237 (E_RNA)
where:
Base-Base interactions energy: -23.038
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.047
local terms energy: -50.408957
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.843
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: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -212.279677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.279677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.279677 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -61.151
Base-Backbone interact. energy: 0.561
local terms energy: -73.167919
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -203.324876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.324876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.324876 (E_RNA)
where:
Base-Base interactions energy: -131.686
where: short stacking energy: -59.534
Base-Backbone interact. energy: -0.212
local terms energy: -71.427338
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -179.419919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.419919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.419919 (E_RNA)
where:
Base-Base interactions energy: -115.331
where: short stacking energy: -50.645
Base-Backbone interact. energy: 0.274
local terms energy: -64.362475
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -149.794963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.794963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.794963 (E_RNA)
where:
Base-Base interactions energy: -90.018
where: short stacking energy: -45.241
Base-Backbone interact. energy: 1.465
local terms energy: -61.241467
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.989
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: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -154.627261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.627261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.627261 (E_RNA)
where:
Base-Base interactions energy: -85.588
where: short stacking energy: -41.124
Base-Backbone interact. energy: -0.138
local terms energy: -68.901899
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.674
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: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -104.276153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.276153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.276153 (E_RNA)
where:
Base-Base interactions energy: -55.877
where: short stacking energy: -39.288
Base-Backbone interact. energy: -2.304
local terms energy: -46.094602
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -80.519186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.519186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.519186 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -23.114
Base-Backbone interact. energy: -0.095
local terms energy: -44.518489
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -8.762
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: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -80.612867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.612867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.612867 (E_RNA)
where:
Base-Base interactions energy: -24.779
where: short stacking energy: -19.391
Base-Backbone interact. energy: -0.112
local terms energy: -55.722010
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -5.664
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: 496
Temperature: 1.300000
Total energy: -82.877835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.877835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.877835 (E_RNA)
where:
Base-Base interactions energy: -29.859
where: short stacking energy: -28.666
Base-Backbone interact. energy: 0.204
local terms energy: -53.223397
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -4.505
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: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -69.859071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.859071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.859071 (E_RNA)
where:
Base-Base interactions energy: -30.183
where: short stacking energy: -22.368
Base-Backbone interact. energy: -0.221
local terms energy: -39.454901
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -5.952
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -210.638424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.638424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.638424 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -63.624
Base-Backbone interact. energy: -0.009
local terms energy: -71.139095
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -194.359690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.359690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.359690 (E_RNA)
where:
Base-Base interactions energy: -124.865
where: short stacking energy: -61.375
Base-Backbone interact. energy: 0.237
local terms energy: -69.731096
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -205.412580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.412580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.412580 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.222
local terms energy: -69.431002
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -20.662
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: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -151.488972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.488972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.488972 (E_RNA)
where:
Base-Base interactions energy: -89.430
where: short stacking energy: -42.677
Base-Backbone interact. energy: -0.047
local terms energy: -62.012153
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -10.493
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: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -112.513752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.513752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.513752 (E_RNA)
where:
Base-Base interactions energy: -60.223
where: short stacking energy: -27.875
Base-Backbone interact. energy: -1.158
local terms energy: -51.133279
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -92.529272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.529272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.529272 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -37.632
Base-Backbone interact. energy: -0.030
local terms energy: -54.008156
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -89.806784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.806784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.806784 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -26.798
Base-Backbone interact. energy: -0.118
local terms energy: -49.818934
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -97.292393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.292393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.292393 (E_RNA)
where:
Base-Base interactions energy: -50.693
where: short stacking energy: -24.090
Base-Backbone interact. energy: -0.016
local terms energy: -46.583618
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -73.196062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.196062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.196062 (E_RNA)
where:
Base-Base interactions energy: -22.529
where: short stacking energy: -22.529
Base-Backbone interact. energy: -0.190
local terms energy: -50.476764
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -73.186241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.186241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.186241 (E_RNA)
where:
Base-Base interactions energy: -33.262
where: short stacking energy: -20.904
Base-Backbone interact. energy: -0.035
local terms energy: -39.888971
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -2.543
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -4.796
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: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -208.915206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.915206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.915206 (E_RNA)
where:
Base-Base interactions energy: -134.004
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.001
local terms energy: -74.910131
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -18.957
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: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -204.953875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.953875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.953875 (E_RNA)
where:
Base-Base interactions energy: -136.085
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.193
local terms energy: -68.676083
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.248
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: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -157.814920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.814920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.814920 (E_RNA)
where:
Base-Base interactions energy: -99.541
where: short stacking energy: -44.924
Base-Backbone interact. energy: 0.235
local terms energy: -58.508665
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -188.441701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.441701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.441701 (E_RNA)
where:
Base-Base interactions energy: -125.202
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.190
local terms energy: -63.049801
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -3.522
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: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -95.141305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.141305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.141305 (E_RNA)
where:
Base-Base interactions energy: -49.785
where: short stacking energy: -35.650
Base-Backbone interact. energy: 0.171
local terms energy: -45.527275
where:
bonds (distance) C4'-P energy: -5.560
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -4.961
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: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -95.263254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.263254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.263254 (E_RNA)
where:
Base-Base interactions energy: -49.067
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.564
local terms energy: -45.631498
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -3.860
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: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -94.440628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.440628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.440628 (E_RNA)
where:
Base-Base interactions energy: -35.706
where: short stacking energy: -34.169
Base-Backbone interact. energy: -0.073
local terms energy: -58.661319
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -81.927288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927288 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -27.308
Base-Backbone interact. energy: -0.532
local terms energy: -53.505466
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -0.249
tors. eta vs tors. theta energy: -6.076
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: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -80.561072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.561072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.561072 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.111
local terms energy: -47.650214
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -7.632
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -76.652354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.652354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.652354 (E_RNA)
where:
Base-Base interactions energy: -33.801
where: short stacking energy: -23.426
Base-Backbone interact. energy: -0.286
local terms energy: -42.565245
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -1.211
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: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -189.721600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.721600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.721600 (E_RNA)
where:
Base-Base interactions energy: -122.596
where: short stacking energy: -47.730
Base-Backbone interact. energy: -0.192
local terms energy: -66.933885
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -200.961957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.961957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.961957 (E_RNA)
where:
Base-Base interactions energy: -133.606
where: short stacking energy: -52.072
Base-Backbone interact. energy: -0.234
local terms energy: -67.122203
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -167.393707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.393707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.393707 (E_RNA)
where:
Base-Base interactions energy: -107.851
where: short stacking energy: -46.085
Base-Backbone interact. energy: -0.006
local terms energy: -59.536597
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -191.881813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.881813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.881813 (E_RNA)
where:
Base-Base interactions energy: -127.234
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.668
local terms energy: -63.980182
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -106.483659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.483659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.483659 (E_RNA)
where:
Base-Base interactions energy: -44.342
where: short stacking energy: -28.222
Base-Backbone interact. energy: -0.020
local terms energy: -62.121688
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -94.237705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237705 (E_RNA)
where:
Base-Base interactions energy: -46.238
where: short stacking energy: -40.472
Base-Backbone interact. energy: 1.052
local terms energy: -49.052193
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -95.069226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.069226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.069226 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.656
local terms energy: -54.064295
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -6.167
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -8.991
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: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -84.958236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.958236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.958236 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.233
local terms energy: -51.635170
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -89.693230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.693230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.693230 (E_RNA)
where:
Base-Base interactions energy: -38.755
where: short stacking energy: -37.403
Base-Backbone interact. energy: -0.110
local terms energy: -50.828206
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -3.226
tors. eta vs tors. theta energy: -9.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -76.953437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.953437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.953437 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -23.698
Base-Backbone interact. energy: 1.115
local terms energy: -50.615061
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -10.785
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: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -200.401036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.401036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.401036 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.014
local terms energy: -66.640053
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -6.447
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: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -206.638555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.638555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.638555 (E_RNA)
where:
Base-Base interactions energy: -135.932
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.000
local terms energy: -70.706648
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -199.980045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.980045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.980045 (E_RNA)
where:
Base-Base interactions energy: -125.836
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.081
local terms energy: -74.062792
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -154.797054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.797054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.797054 (E_RNA)
where:
Base-Base interactions energy: -91.923
where: short stacking energy: -45.841
Base-Backbone interact. energy: -0.197
local terms energy: -62.677105
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -109.666166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.666166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.666166 (E_RNA)
where:
Base-Base interactions energy: -53.711
where: short stacking energy: -45.344
Base-Backbone interact. energy: -0.082
local terms energy: -55.873658
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -77.701067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.701067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.701067 (E_RNA)
where:
Base-Base interactions energy: -32.600
where: short stacking energy: -32.381
Base-Backbone interact. energy: -0.080
local terms energy: -45.020563
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -85.866623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.866623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.866623 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -23.056
Base-Backbone interact. energy: -0.659
local terms energy: -38.875052
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -74.838397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.838397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.838397 (E_RNA)
where:
Base-Base interactions energy: -29.622
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.084
local terms energy: -45.132204
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -82.378857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.378857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.378857 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -20.744
Base-Backbone interact. energy: -0.172
local terms energy: -49.911623
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -5.226
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: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -101.812386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.812386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.812386 (E_RNA)
where:
Base-Base interactions energy: -60.076
where: short stacking energy: -27.752
Base-Backbone interact. energy: -0.107
local terms energy: -41.629386
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -8.587
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: 1, replica: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -205.948247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.948247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.948247 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.007
local terms energy: -78.309702
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -202.120294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.120294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.120294 (E_RNA)
where:
Base-Base interactions energy: -129.540
where: short stacking energy: -53.122
Base-Backbone interact. energy: -0.000
local terms energy: -72.579665
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.878
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: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -201.132742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.132742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.132742 (E_RNA)
where:
Base-Base interactions energy: -133.049
where: short stacking energy: -56.417
Base-Backbone interact. energy: -0.067
local terms energy: -68.016452
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -18.391
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: 501
Temperature: 1.050000
Total energy: -156.000437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.000437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.000437 (E_RNA)
where:
Base-Base interactions energy: -93.643
where: short stacking energy: -44.504
Base-Backbone interact. energy: -0.451
local terms energy: -61.906392
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -120.968524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.968524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.968524 (E_RNA)
where:
Base-Base interactions energy: -57.705
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.096
local terms energy: -63.167310
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -92.381023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381023 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -34.077
Base-Backbone interact. energy: -0.009
local terms energy: -58.294969
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -119.596351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.596351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.596351 (E_RNA)
where:
Base-Base interactions energy: -76.014
where: short stacking energy: -37.784
Base-Backbone interact. energy: 1.398
local terms energy: -44.981158
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -87.118954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.118954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.118954 (E_RNA)
where:
Base-Base interactions energy: -36.765
where: short stacking energy: -28.238
Base-Backbone interact. energy: -0.041
local terms energy: -50.312778
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -3.539
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: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -77.354185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.354185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.354185 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -23.888
Base-Backbone interact. energy: -0.254
local terms energy: -48.869871
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -82.545401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545401 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -24.028
Base-Backbone interact. energy: -0.139
local terms energy: -44.193991
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -7.252
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: 2.162
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 23166389
moves confirmed later: 28519227
all moves confirmed: 51685616
percent of confirmed moves: 6.460702
current total energy: -184.389123
recalc. total energy: -184.389123
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15048899
moves confirmed later: 17868441
all moves confirmed: 32917340
percent of confirmed moves: 4.114668
current total energy: -153.846895
recalc. total energy: -153.846895
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 12409516
moves confirmed later: 14337369
all moves confirmed: 26746885
percent of confirmed moves: 3.343361
current total energy: -163.999529
recalc. total energy: -163.999529
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 20522486
moves confirmed later: 25046089
all moves confirmed: 45568575
percent of confirmed moves: 5.696072
current total energy: -102.562932
recalc. total energy: -102.562932
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 16478126
moves confirmed later: 19730391
all moves confirmed: 36208517
percent of confirmed moves: 4.526065
current total energy: -100.425116
recalc. total energy: -100.425116
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 13963689
moves confirmed later: 16350138
all moves confirmed: 30313827
percent of confirmed moves: 3.789228
current total energy: -66.041612
recalc. total energy: -66.041612
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23160327
moves confirmed later: 28483264
all moves confirmed: 51643591
percent of confirmed moves: 6.455449
current total energy: -39.916020
recalc. total energy: -39.916020
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16767609
moves confirmed later: 20087420
all moves confirmed: 36855029
percent of confirmed moves: 4.606879
current total energy: -57.828401
recalc. total energy: -57.828401
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 22013180
moves confirmed later: 27009890
all moves confirmed: 49023070
percent of confirmed moves: 6.127884
current total energy: -42.360039
recalc. total energy: -42.360039
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23369795
moves confirmed later: 28824520
all moves confirmed: 52194315
percent of confirmed moves: 6.524289
current total energy: -46.265248
recalc. total energy: -46.265248
out arg RESULTS//1/IONIS-f3aabb50_01
Time of doing 8000000 iterations: 2225.633 seconds